(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide

C17H25N3O — CID 166276779

IUPAC(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1CCC(c2cccc(NC(=O)[C@H]3CCNC3)c2)CC1
InChIInChI=1S/C17H25N3O/c1-20-9-6-13(7-10-20)14-3-2-4-16(11-14)19-17(21)15-5-8-18-12-15/h2-4,11,13,15,18H,5-10,12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJVJLUBWNJWEMTB-HNNXBMFYSA-N
MW287.41 g/mol
LogP2.04
Rot. Bonds3

About (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide

(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 166276779) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID166276779
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCN1CCC(c2cccc(NC(=O)[C@H]3CCNC3)c2)CC1
InChIInChI=1S/C17H25N3O/c1-20-9-6-13(7-10-20)14-3-2-4-16(11-14)19-17(21)15-5-8-18-12-15/h2-4,11,13,15,18H,5-10,12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJVJLUBWNJWEMTB-HNNXBMFYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 90012477
N-[3-(1-methylpiperidin-4-yl)phenyl]-5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 166314838
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
CID 110837941

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide (CID 166276779) is (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide is CN1CCC(c2cccc(NC(=O)[C@H]3CCNC3)c2)CC1.
What is the InChIKey of (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is JVJLUBWNJWEMTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-9-6-13(7-10-20)14-3-2-4-16(11-14)19-17(21)15-5-8-18-12-15/h2-4,11,13,15,18H,5-10,12H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide?
(3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(1-methylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166276779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).