(2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide

C22H23N5O — CID 143817083

IUPAC(2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide
SMILESN#Cc1ccc(-c2ccc(CC[C@@H](C#N)NC(=O)[C@@H]3CCCCN3)cc2)cn1
InChIInChI=1S/C22H23N5O/c23-13-19-11-9-18(15-26-19)17-7-4-16(5-8-17)6-10-20(14-24)27-22(28)21-3-1-2-12-25-21/h4-5,7-9,11,15,20-21,25H,1-3,6,10,12H2,(H,27,28)/t20-,21-/m0/s1
InChIKeyOIBPSMXGDAWIPG-SFTDATJTSA-N
MW373.46 g/mol
LogP2.70
Rot. Bonds6

About (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide

(2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide (PubChem CID 143817083) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide
PubChem CID143817083
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide
SMILESN#Cc1ccc(-c2ccc(CC[C@@H](C#N)NC(=O)[C@@H]3CCCCN3)cc2)cn1
InChIInChI=1S/C22H23N5O/c23-13-19-11-9-18(15-26-19)17-7-4-16(5-8-17)6-10-20(14-24)27-22(28)21-3-1-2-12-25-21/h4-5,7-9,11,15,20-21,25H,1-3,6,10,12H2,(H,27,28)/t20-,21-/m0/s1
InChIKeyOIBPSMXGDAWIPG-SFTDATJTSA-N
XLogP2.70
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[(1S)-1-cyano-3-[4-[4-(methylcarbamoyl)phenyl]phenyl]propyl]piperidine-2-carboxamide
CID 143817099
(2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxyphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 42641891
(2S)-N-[(1S)-1-cyano-3-[4-(3-methyl-2-oxo-1,3-benzothiazol-5-yl)phenyl]propyl]piperidine-2-carboxamide
CID 143817107
(2S)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155561515
(2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen
CID 143817119
(2S)-N-[(1S)-1-cyano-3-[4-[3-(2-hydroxyethyl)-2-oxo-1,3-benzothiazol-5-yl]phenyl]propyl]piperidine-2-carboxamide
CID 143817087
(2S)-N-[(1S)-1-cyano-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]piperidine-2-carboxamide
CID 42641559
N-[(1S)-1-cyano-2-[4-(4-cyano-3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 67268100
N-[(1S)-2-[4-(3-chlorophenyl)phenyl]-1-cyanoethyl]piperidine-2-carboxamide
CID 67269258
(2S)-N-[(1S)-2-[4-(1,3-benzodioxol-5-yl)phenyl]-1-cyanoethyl]piperidine-2-carboxamide
CID 42642000
(2S)-N-[(1S)-1-cyano-2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 42642227
N-[(1S)-1-cyano-2-[4-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 140544190

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide (CID 143817083) is (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide is N#Cc1ccc(-c2ccc(CC[C@@H](C#N)NC(=O)[C@@H]3CCCCN3)cc2)cn1.
What is the InChIKey of (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide?
The InChIKey is OIBPSMXGDAWIPG-SFTDATJTSA-N. The full InChI is InChI=1S/C22H23N5O/c23-13-19-11-9-18(15-26-19)17-7-4-16(5-8-17)6-10-20(14-24)27-22(28)21-3-1-2-12-25-21/h4-5,7-9,11,15,20-21,25H,1-3,6,10,12H2,(H,27,28)/t20-,21-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide?
(2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-cyano-3-[4-(6-cyano-3-pyridinyl)phenyl]propyl]piperidine-2-carboxamide is sourced from PubChem (CID 143817083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).