(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide

C21H28N2O2 — CID 95632147

IUPAC(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C21H28N2O2/c24-20(18-7-4-12-23(14-18)21(25)17-10-11-17)22-19(16-8-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyJIPDYJHMSJWKJJ-MOPGFXCFSA-N
MW340.47 g/mol
LogP2.77
Rot. Bonds6

About (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide

(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide (PubChem CID 95632147) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
PubChem CID95632147
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C21H28N2O2/c24-20(18-7-4-12-23(14-18)21(25)17-10-11-17)22-19(16-8-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2,(H,22,24)/t18-,19+/m1/s1
InChIKeyJIPDYJHMSJWKJJ-MOPGFXCFSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125149297
2-[(1-benzoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165825
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
N-(1-cyclopentyl-2-phenylethyl)-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 154807500
(2S)-2-[[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119366391
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 111565698
methyl (2S)-3-phenyl-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 38031986
methyl (2R)-3-phenyl-2-[[(3R)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 39995976
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide (CID 95632147) is (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide is O=C(N[C@@H](Cc1ccccc1)C1CC1)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide?
The InChIKey is JIPDYJHMSJWKJJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-20(18-7-4-12-23(14-18)21(25)17-10-11-17)22-19(16-8-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2,(H,22,24)/t18-,19+/m1/s1.
What are the key properties of (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide?
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95632147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).