(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide

C10H15N3O — CID 81134103

IUPAC(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide
SMILESO=C(Nn1cccc1)[C@H]1CCCNC1
InChIInChI=1S/C10H15N3O/c14-10(9-4-3-5-11-8-9)12-13-6-1-2-7-13/h1-2,6-7,9,11H,3-5,8H2,(H,12,14)/t9-/m0/s1
InChIKeyORQAZDVCPYIFLH-VIFPVBQESA-N
MW193.25 g/mol
LogP0.56
Rot. Bonds2

About (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide

(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide (PubChem CID 81134103) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide
PubChem CID81134103
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide
SMILESO=C(Nn1cccc1)[C@H]1CCCNC1
InChIInChI=1S/C10H15N3O/c14-10(9-4-3-5-11-8-9)12-13-6-1-2-7-13/h1-2,6-7,9,11H,3-5,8H2,(H,12,14)/t9-/m0/s1
InChIKeyORQAZDVCPYIFLH-VIFPVBQESA-N
XLogP0.56
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
CID 81134213
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
ethane;piperidine-3-carbohydrazide
CID 143869941
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
di(piperidin-3-yl)methanone
CID 69183047
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495

Frequently Asked Questions

What is the IUPAC name of (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide (CID 81134103) is (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide is O=C(Nn1cccc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide?
The InChIKey is ORQAZDVCPYIFLH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(9-4-3-5-11-8-9)12-13-6-1-2-7-13/h1-2,6-7,9,11H,3-5,8H2,(H,12,14)/t9-/m0/s1.
What are the key properties of (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide?
(3S)-N-pyrrol-1-ylpiperidine-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-pyrrol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 81134103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).