1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide

C20H30N4O2 — CID 119034158

IUPAC1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N4O2/c1-15(24-13-17(14-24)20(26)21-2)19(25)22-18-8-10-23(11-9-18)12-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNUQBRGSDZYWTAF-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.83
Rot. Bonds6

About 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide

1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide (PubChem CID 119034158) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
PubChem CID119034158
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H30N4O2/c1-15(24-13-17(14-24)20(26)21-2)19(25)22-18-8-10-23(11-9-18)12-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNUQBRGSDZYWTAF-UHFFFAOYSA-N
XLogP0.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
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CID 49440809
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
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(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
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CID 60613965

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
The IUPAC name of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide (CID 119034158) is 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
The canonical SMILES for 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide is CNC(=O)C1CN(C(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
The InChIKey is NUQBRGSDZYWTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15(24-13-17(14-24)20(26)21-2)19(25)22-18-8-10-23(11-9-18)12-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide?
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide is sourced from PubChem (CID 119034158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).