N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide

C21H25N3O3 — CID 91779291

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cccc(C(=O)NC3CCN(CC(N)=O)CC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-7-3-5-16(13-19)15-4-2-6-17(12-15)21(26)23-18-8-10-24(11-9-18)14-20(22)25/h2-7,12-13,18H,8-11,14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyHBFIFHWQXXNTAA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide (PubChem CID 91779291) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
PubChem CID91779291
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cccc(C(=O)NC3CCN(CC(N)=O)CC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-7-3-5-16(13-19)15-4-2-6-17(12-15)21(26)23-18-8-10-24(11-9-18)14-20(22)25/h2-7,12-13,18H,8-11,14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyHBFIFHWQXXNTAA-UHFFFAOYSA-N
XLogP2.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide 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

3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]benzamide
CID 43711659
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46510476
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(chloromethyl)benzamide
CID 43700629
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide (CID 91779291) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cccc(C(=O)NC3CCN(CC(N)=O)CC3)c2)c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide?
The InChIKey is HBFIFHWQXXNTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-7-3-5-16(13-19)15-4-2-6-17(12-15)21(26)23-18-8-10-24(11-9-18)14-20(22)25/h2-7,12-13,18H,8-11,14H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 91779291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).