2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile

C21H29N5O — CID 95402787

IUPAC2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1
InChIInChI=1S/C21H29N5O/c22-15-17-5-8-23-20(14-17)24-12-6-19(7-13-24)26-11-3-4-18(16-26)21(27)25-9-1-2-10-25/h5,8,14,18-19H,1-4,6-7,9-13,16H2/t18-/m0/s1
InChIKeyUUAVXUDLVUCXSQ-SFHVURJKSA-N
MW367.50 g/mol
LogP2.26
Rot. Bonds3

About 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile

2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 95402787) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID95402787
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1
InChIInChI=1S/C21H29N5O/c22-15-17-5-8-23-20(14-17)24-12-6-19(7-13-24)26-11-3-4-18(16-26)21(27)25-9-1-2-10-25/h5,8,14,18-19H,1-4,6-7,9-13,16H2/t18-/m0/s1
InChIKeyUUAVXUDLVUCXSQ-SFHVURJKSA-N
XLogP2.26
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56878526
2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 95554065
2-[4-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95524873
[1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56872253
[(3R)-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552222
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
pyrrolidin-1-yl-[1-(1-quinolin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868753
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile (CID 95402787) is 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1.
What is the InChIKey of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is UUAVXUDLVUCXSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N5O/c22-15-17-5-8-23-20(14-17)24-12-6-19(7-13-24)26-11-3-4-18(16-26)21(27)25-9-1-2-10-25/h5,8,14,18-19H,1-4,6-7,9-13,16H2/t18-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 367.50 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95402787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).