N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine

C33H54N6O5 — CID 172604198

IUPACN-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine
SMILESCCC(CCN(C)CC1CCN(C(=O)C2CCCCC2)CC1)NC(=O)c1ccc(OC)c(N2CCC(=O)NC2=O)c1.CCN
InChIInChI=1S/C31H47N5O5.C2H7N/c1-4-25(14-16-34(2)21-22-12-17-35(18-13-22)30(39)23-8-6-5-7-9-23)32-29(38)24-10-11-27(41-3)26(20-24)36-19-15-28(37)33-31(36)40;1-2-3/h10-11,20,22-23,25H,4-9,12-19,21H2,1-3H3,(H,32,38)(H,33,37,40);2-3H2,1H3
InChIKeyDLYGHHHBXGJLBC-UHFFFAOYSA-N
MW614.83 g/mol
LogP3.76
Rot. Bonds11

About N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine

N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine (PubChem CID 172604198) has the molecular formula C33H54N6O5 and a molecular weight of 614.83 g/mol. Its IUPAC name is N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine.

Molecular Properties

Compound NameN-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine
PubChem CID172604198
Molecular FormulaC33H54N6O5
Molecular Weight614.83 g/mol
Exact Mass614.42
IUPAC NameN-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine
SMILESCCC(CCN(C)CC1CCN(C(=O)C2CCCCC2)CC1)NC(=O)c1ccc(OC)c(N2CCC(=O)NC2=O)c1.CCN
InChIInChI=1S/C31H47N5O5.C2H7N/c1-4-25(14-16-34(2)21-22-12-17-35(18-13-22)30(39)23-8-6-5-7-9-23)32-29(38)24-10-11-27(41-3)26(20-24)36-19-15-28(37)33-31(36)40;1-2-3/h10-11,20,22-23,25H,4-9,12-19,21H2,1-3H3,(H,32,38)(H,33,37,40);2-3H2,1H3
InChIKeyDLYGHHHBXGJLBC-UHFFFAOYSA-N
XLogP3.76
TPSA137.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.83
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 167439984
3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxy-N-piperidin-4-ylbenzamide
CID 172604568
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
1-[5-[4-[4-(aminomethyl)benzoyl]piperazine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 172604784
1-[2-methoxy-5-(2,3,4,5,6-pentafluorobenzoyl)phenyl]-1,3-diazinane-2,4-dione
CID 171521582
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 156707443
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
3-[2-[[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]amino]ethoxy]propanoic acid
CID 171800273
phenyl 3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoate
CID 175264333
3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3-azaspiro[5.5]undecane-9-carbaldehyde
CID 171484980
3-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propanoic acid
CID 171800036

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine?
The IUPAC name of N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine (CID 172604198) is N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine.
What is the SMILES notation for N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine?
The canonical SMILES for N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine is CCC(CCN(C)CC1CCN(C(=O)C2CCCCC2)CC1)NC(=O)c1ccc(OC)c(N2CCC(=O)NC2=O)c1.CCN.
What is the InChIKey of N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine?
The InChIKey is DLYGHHHBXGJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N5O5.C2H7N/c1-4-25(14-16-34(2)21-22-12-17-35(18-13-22)30(39)23-8-6-5-7-9-23)32-29(38)24-10-11-27(41-3)26(20-24)36-19-15-28(37)33-31(36)40;1-2-3/h10-11,20,22-23,25H,4-9,12-19,21H2,1-3H3,(H,32,38)(H,33,37,40);2-3H2,1H3.
What are the key properties of N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine?
N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine has a molecular weight of 614.83 g/mol, XLogP of 3.76, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methyl-methylamino]pentan-3-yl]-3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzamide;ethanamine is sourced from PubChem (CID 172604198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).