(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide

C23H34N4O3 — CID 26393824

IUPAC(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C23H34N4O3/c1-25(16-19-6-3-2-4-7-19)21(28)10-9-18-11-14-26(15-12-18)22(29)20-8-5-13-27(17-20)23(24)30/h2-4,6-7,18,20H,5,8-17H2,1H3,(H2,24,30)/t20-/m0/s1
InChIKeyYDNZSFRCRVRDJO-FQEVSTJZSA-N
MW414.55 g/mol
LogP2.45
Rot. Bonds6

About (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide

(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 26393824) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID26393824
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1
InChIInChI=1S/C23H34N4O3/c1-25(16-19-6-3-2-4-7-19)21(28)10-9-18-11-14-26(15-12-18)22(29)20-8-5-13-27(17-20)23(24)30/h2-4,6-7,18,20H,5,8-17H2,1H3,(H2,24,30)/t20-/m0/s1
InChIKeyYDNZSFRCRVRDJO-FQEVSTJZSA-N
XLogP2.45
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
CID 42456995
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 42379086
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745
2-[(3S)-3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 96579249
(3-aminocyclohexyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875229

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide (CID 26393824) is (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1.
What is the InChIKey of (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is YDNZSFRCRVRDJO-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-25(16-19-6-3-2-4-7-19)21(28)10-9-18-11-14-26(15-12-18)22(29)20-8-5-13-27(17-20)23(24)30/h2-4,6-7,18,20H,5,8-17H2,1H3,(H2,24,30)/t20-/m0/s1.
What are the key properties of (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide?
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 26393824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).