phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C18H26N2O — CID 29348343

IUPACphenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCC1
InChIInChI=1S/C18H26N2O/c21-18(16-8-2-1-3-9-16)20-14-5-4-10-17(20)11-15-19-12-6-7-13-19/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
InChIKeySYWUAQQOCOVUEM-KRWDZBQOSA-N
MW286.42 g/mol
LogP3.17
Rot. Bonds4

About phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 29348343) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID29348343
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namephenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCC1
InChIInChI=1S/C18H26N2O/c21-18(16-8-2-1-3-9-16)20-14-5-4-10-17(20)11-15-19-12-6-7-13-19/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
InChIKeySYWUAQQOCOVUEM-KRWDZBQOSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
[(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
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 29348343) is phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCC1.
What is the InChIKey of phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is SYWUAQQOCOVUEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(16-8-2-1-3-9-16)20-14-5-4-10-17(20)11-15-19-12-6-7-13-19/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1.
What are the key properties of phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 29348343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).