(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile

C19H25N3O — CID 97191607

IUPAC(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile
SMILESN#C[C@H]1CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C19H25N3O/c20-13-16-5-4-10-22(14-16)19(23)15-21-11-8-18(9-12-21)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-12,14-15H2/t16-/m1/s1
InChIKeyOMEHPRMPNKXIFL-MRXNPFEDSA-N
MW311.43 g/mol
LogP2.63
Rot. Bonds3

About (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile

(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile (PubChem CID 97191607) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile
PubChem CID97191607
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile
SMILESN#C[C@H]1CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C19H25N3O/c20-13-16-5-4-10-22(14-16)19(23)15-21-11-8-18(9-12-21)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-12,14-15H2/t16-/m1/s1
InChIKeyOMEHPRMPNKXIFL-MRXNPFEDSA-N
XLogP2.63
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-phenylpiperidin-1-yl)ethanone
CID 77083575
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 72840049
2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62833293
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 22355892
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile
CID 91781505
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 133267233
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
N-(2-cyanoethyl)-N-phenyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134001832
(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 126454471
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile?
The IUPAC name of (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile (CID 97191607) is (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile?
The canonical SMILES for (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile is N#C[C@H]1CCCN(C(=O)CN2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile?
The InChIKey is OMEHPRMPNKXIFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O/c20-13-16-5-4-10-22(14-16)19(23)15-21-11-8-18(9-12-21)17-6-2-1-3-7-17/h1-3,6-7,16,18H,4-5,8-12,14-15H2/t16-/m1/s1.
What are the key properties of (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile?
(3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-phenylpiperidin-1-yl)acetyl]piperidine-3-carbonitrile is sourced from PubChem (CID 97191607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).