(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

C21H31N3O3 — CID 97196453

IUPAC(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O3/c1-22(2)20(26)24-12-6-9-18(16-24)19(25)23-13-10-21(27,11-14-23)15-17-7-4-3-5-8-17/h3-5,7-8,18,27H,6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyNAYTZMNWOLQPQY-SFHVURJKSA-N
MW373.50 g/mol
LogP1.98
Rot. Bonds3

About (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 97196453) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID97196453
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H31N3O3/c1-22(2)20(26)24-12-6-9-18(16-24)19(25)23-13-10-21(27,11-14-23)15-17-7-4-3-5-8-17/h3-5,7-8,18,27H,6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyNAYTZMNWOLQPQY-SFHVURJKSA-N
XLogP1.98
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 139007230
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663
(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 97191479
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139012650
(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324277
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75469157
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
(3S)-3-[4-[(6-chloro-3-pyridinyl)methyl]piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97201196

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (CID 97196453) is (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC(O)(Cc3ccccc3)CC2)C1.
What is the InChIKey of (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is NAYTZMNWOLQPQY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-22(2)20(26)24-12-6-9-18(16-24)19(25)23-13-10-21(27,11-14-23)15-17-7-4-3-5-8-17/h3-5,7-8,18,27H,6,9-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 97196453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).