(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide

C17H25N3O — CID 81119070

IUPAC(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)[C@H]1CCCNC1
InChIInChI=1S/C17H25N3O/c21-17(15-4-3-9-18-12-15)19-16-7-5-14(6-8-16)13-20-10-1-2-11-20/h5-8,15,18H,1-4,9-13H2,(H,19,21)/t15-/m0/s1
InChIKeyPDXCYRMJNVSVEZ-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.22
Rot. Bonds4

About (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide

(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 81119070) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID81119070
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)[C@H]1CCCNC1
InChIInChI=1S/C17H25N3O/c21-17(15-4-3-9-18-12-15)19-16-7-5-14(6-8-16)13-20-10-1-2-11-20/h5-8,15,18H,1-4,9-13H2,(H,19,21)/t15-/m0/s1
InChIKeyPDXCYRMJNVSVEZ-HNNXBMFYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
N-[4-(2-thiomorpholin-4-ylethyl)phenyl]piperidine-3-carboxamide
CID 119869819
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide (CID 81119070) is (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(CN2CCCC2)cc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is PDXCYRMJNVSVEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(15-4-3-9-18-12-15)19-16-7-5-14(6-8-16)13-20-10-1-2-11-20/h5-8,15,18H,1-4,9-13H2,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81119070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).