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

C19H29N3O — CID 97123855

IUPAC(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)ccn1
InChIInChI=1S/C19H29N3O/c1-2-17-15-16(8-10-20-17)19(23)22-13-4-3-7-18(22)9-14-21-11-5-6-12-21/h8,10,15,18H,2-7,9,11-14H2,1H3/t18-/m1/s1
InChIKeyVLNJDYJZIGNBBC-GOSISDBHSA-N
MW315.46 g/mol
LogP3.12
Rot. Bonds5

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

(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 97123855) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID97123855
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)ccn1
InChIInChI=1S/C19H29N3O/c1-2-17-15-16(8-10-20-17)19(23)22-13-4-3-7-18(22)9-14-21-11-5-6-12-21/h8,10,15,18H,2-7,9,11-14H2,1H3/t18-/m1/s1
InChIKeyVLNJDYJZIGNBBC-GOSISDBHSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
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
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
CID 40776096
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propoxyphenyl)methanone
CID 17013777
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 17011291

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 97123855) is (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)ccn1.
What is the InChIKey of (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is VLNJDYJZIGNBBC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-17-15-16(8-10-20-17)19(23)22-13-4-3-7-18(22)9-14-21-11-5-6-12-21/h8,10,15,18H,2-7,9,11-14H2,1H3/t18-/m1/s1.
What are the key properties of (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97123855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).