(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide

C23H35N3O2 — CID 124726117

IUPAC(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)C1
InChIInChI=1S/C23H35N3O2/c1-17-11-18(2)14-25(13-17)15-21-8-5-4-7-20(21)12-24-23(28)22-9-6-10-26(16-22)19(3)27/h4-5,7-8,17-18,22H,6,9-16H2,1-3H3,(H,24,28)/t17-,18-,22-/m0/s1
InChIKeyBQKFFSLNTLBWBQ-SPEDKVCISA-N
MW385.55 g/mol
LogP3.04
Rot. Bonds5

About (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 124726117) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID124726117
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)C1
InChIInChI=1S/C23H35N3O2/c1-17-11-18(2)14-25(13-17)15-21-8-5-4-7-20(21)12-24-23(28)22-9-6-10-26(16-22)19(3)27/h4-5,7-8,17-18,22H,6,9-16H2,1-3H3,(H,24,28)/t17-,18-,22-/m0/s1
InChIKeyBQKFFSLNTLBWBQ-SPEDKVCISA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848773
(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 99845338
1-(furan-2-carbonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 46515829
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965005
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47989411
(3R)-1-(benzenesulfonyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 38741196
trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide (CID 124726117) is (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)C1.
What is the InChIKey of (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BQKFFSLNTLBWBQ-SPEDKVCISA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-11-18(2)14-25(13-17)15-21-8-5-4-7-20(21)12-24-23(28)22-9-6-10-26(16-22)19(3)27/h4-5,7-8,17-18,22H,6,9-16H2,1-3H3,(H,24,28)/t17-,18-,22-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124726117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).