pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C17H25N3O — CID 95111669

IUPACpyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCCC[C@@H]1CCN1CCCC1
InChIInChI=1S/C17H25N3O/c21-17(15-6-9-18-10-7-15)20-13-2-1-5-16(20)8-14-19-11-3-4-12-19/h6-7,9-10,16H,1-5,8,11-14H2/t16-/m1/s1
InChIKeySKCDSKOLPQMQAA-MRXNPFEDSA-N
MW287.41 g/mol
LogP2.56
Rot. Bonds4

About pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 95111669) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID95111669
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Namepyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCCC[C@@H]1CCN1CCCC1
InChIInChI=1S/C17H25N3O/c21-17(15-6-9-18-10-7-15)20-13-2-1-5-16(20)8-14-19-11-3-4-12-19/h6-7,9-10,16H,1-5,8,11-14H2/t16-/m1/s1
InChIKeySKCDSKOLPQMQAA-MRXNPFEDSA-N
XLogP2.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 17011291
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 23607119
[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 29348207
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 95111669) is pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccncc1)N1CCCC[C@@H]1CCN1CCCC1.
What is the InChIKey of pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is SKCDSKOLPQMQAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(15-6-9-18-10-7-15)20-13-2-1-5-16(20)8-14-19-11-3-4-12-19/h6-7,9-10,16H,1-5,8,11-14H2/t16-/m1/s1.
What are the key properties of pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95111669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).