(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide

C22H24N4O2 — CID 25471392

IUPAC(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C22H24N4O2/c23-15-17-8-10-20(11-9-17)24-21(27)12-14-26-13-4-5-18(16-26)22(28)25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyKHQWXPXCPYEWNQ-GOSISDBHSA-N
MW376.46 g/mol
LogP3.24
Rot. Bonds6

About (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide

(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 25471392) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
PubChem CID25471392
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C22H24N4O2/c23-15-17-8-10-20(11-9-17)24-21(27)12-14-26-13-4-5-18(16-26)22(28)25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyKHQWXPXCPYEWNQ-GOSISDBHSA-N
XLogP3.24
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-cyanophenoxy)ethyl]-N-phenylpiperidine-3-carboxamide
CID 42926355
3-[(3R)-3-aminopiperidin-1-yl]-N-(4-cyanophenyl)propanamide
CID 102985639
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(4-amino-3-methylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 79874391
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide (CID 25471392) is (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide is N#Cc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is KHQWXPXCPYEWNQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-15-17-8-10-20(11-9-17)24-21(27)12-14-26-13-4-5-18(16-26)22(28)25-19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12-14,16H2,(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-cyanoanilino)-3-oxopropyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 25471392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).