(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

C21H31F2N3O — CID 95554118

IUPAC(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(CC(F)F)CC2)C1
InChIInChI=1S/C21H31F2N3O/c22-20(23)16-25-13-9-19(10-14-25)26-12-4-7-18(15-26)21(27)24-11-8-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,24,27)/t18-/m1/s1
InChIKeyDGEAYEMAPSIMFA-GOSISDBHSA-N
MW379.50 g/mol
LogP2.79
Rot. Bonds7

About (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 95554118) has the molecular formula C21H31F2N3O and a molecular weight of 379.50 g/mol. Its IUPAC name is (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID95554118
Molecular FormulaC21H31F2N3O
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(CC(F)F)CC2)C1
InChIInChI=1S/C21H31F2N3O/c22-20(23)16-25-13-9-19(10-14-25)26-12-4-7-18(15-26)21(27)24-11-8-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,24,27)/t18-/m1/s1
InChIKeyDGEAYEMAPSIMFA-GOSISDBHSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
(3S)-1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 42394363
1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45242607
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571690
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
N-(3-aminopropyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56876392

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 95554118) is (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(CC(F)F)CC2)C1.
What is the InChIKey of (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is DGEAYEMAPSIMFA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31F2N3O/c22-20(23)16-25-13-9-19(10-14-25)26-12-4-7-18(15-26)21(27)24-11-8-17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16H2,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95554118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).