N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C24H36N4O2S — CID 126478993

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc2nc(N3CCCC(C(=O)NCCCN(C)C4CCCCC4)C3)sc2c1
InChIInChI=1S/C24H36N4O2S/c1-27(19-9-4-3-5-10-19)14-7-13-25-23(29)18-8-6-15-28(17-18)24-26-21-12-11-20(30-2)16-22(21)31-24/h11-12,16,18-19H,3-10,13-15,17H2,1-2H3,(H,25,29)
InChIKeyWDPVYYRTJQPXEW-UHFFFAOYSA-N
MW444.65 g/mol
LogP4.29
Rot. Bonds8

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 126478993) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID126478993
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc2nc(N3CCCC(C(=O)NCCCN(C)C4CCCCC4)C3)sc2c1
InChIInChI=1S/C24H36N4O2S/c1-27(19-9-4-3-5-10-19)14-7-13-25-23(29)18-8-6-15-28(17-18)24-26-21-12-11-20(30-2)16-22(21)31-24/h11-12,16,18-19H,3-10,13-15,17H2,1-2H3,(H,25,29)
InChIKeyWDPVYYRTJQPXEW-UHFFFAOYSA-N
XLogP4.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 156601314
(3S)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 98460153
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 15992581
N-[2-(4-chlorophenyl)ethyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 22422121
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 20883813
N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604299
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893061
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 90612073
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926481

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 126478993) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is COc1ccc2nc(N3CCCC(C(=O)NCCCN(C)C4CCCCC4)C3)sc2c1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is WDPVYYRTJQPXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-27(19-9-4-3-5-10-19)14-7-13-25-23(29)18-8-6-15-28(17-18)24-26-21-12-11-20(30-2)16-22(21)31-24/h11-12,16,18-19H,3-10,13-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 444.65 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 126478993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).