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

C24H38N4O2 — CID 49440809

IUPAC1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C24H38N4O2/c1-3-13-25-24(30)21-10-7-14-28(18-21)19(2)23(29)26-22-11-15-27(16-12-22)17-20-8-5-4-6-9-20/h4-6,8-9,19,21-22H,3,7,10-18H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyBOLNAYLWDALMRJ-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.39
Rot. Bonds8

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

1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide (PubChem CID 49440809) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide
PubChem CID49440809
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C24H38N4O2/c1-3-13-25-24(30)21-10-7-14-28(18-21)19(2)23(29)26-22-11-15-27(16-12-22)17-20-8-5-4-6-9-20/h4-6,8-9,19,21-22H,3,7,10-18H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyBOLNAYLWDALMRJ-UHFFFAOYSA-N
XLogP2.39
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide (CID 49440809) is 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(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-propylpiperidine-3-carboxamide?
The InChIKey is BOLNAYLWDALMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-3-13-25-24(30)21-10-7-14-28(18-21)19(2)23(29)26-22-11-15-27(16-12-22)17-20-8-5-4-6-9-20/h4-6,8-9,19,21-22H,3,7,10-18H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide?
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-propylpiperidine-3-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.39, 8 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-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49440809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).