(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide

C23H30N2O2 — CID 27745511

IUPAC(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C23H30N2O2/c26-21(24-20-6-2-1-3-7-20)19-5-4-8-25(15-19)22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-3,6-7,16-19H,4-5,8-15H2,(H,24,26)/t16?,17?,18?,19-,23?/m0/s1
InChIKeyYUCOPMQAVBGJGP-HJGBXLFDSA-N
MW366.51 g/mol
LogP4.08
Rot. Bonds3

About (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide

(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 27745511) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID27745511
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C23H30N2O2/c26-21(24-20-6-2-1-3-7-20)19-5-4-8-25(15-19)22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-3,6-7,16-19H,4-5,8-15H2,(H,24,26)/t16?,17?,18?,19-,23?/m0/s1
InChIKeyYUCOPMQAVBGJGP-HJGBXLFDSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
1-[1-(4-methylphenyl)cyclobutanecarbonyl]-N-phenylpiperidine-3-carboxamide
CID 142125162
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-[(5R,7R)-3-hydroxyadamantane-1-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 98512410
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
1-(adamantane-1-carbonyl)piperidine-3-carboxamide
CID 128950015
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 27745511) is (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is YUCOPMQAVBGJGP-HJGBXLFDSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-21(24-20-6-2-1-3-7-20)19-5-4-8-25(15-19)22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-3,6-7,16-19H,4-5,8-15H2,(H,24,26)/t16?,17?,18?,19-,23?/m0/s1.
What are the key properties of (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide?
(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 27745511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).