(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide

C11H17N3O — CID 106384933

IUPAC(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)[C@H]1CCCCN1
InChIInChI=1S/C11H17N3O/c15-11(10-3-1-2-5-13-10)14-8-9-4-6-12-7-9/h4,6-7,10,12-13H,1-3,5,8H2,(H,14,15)/t10-/m1/s1
InChIKeyWADJVRCUJJCUSY-SNVBAGLBSA-N
MW207.28 g/mol
LogP0.77
Rot. Bonds3

About (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide

(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 106384933) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
PubChem CID106384933
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)[C@H]1CCCCN1
InChIInChI=1S/C11H17N3O/c15-11(10-3-1-2-5-13-10)14-8-9-4-6-12-7-9/h4,6-7,10,12-13H,1-3,5,8H2,(H,14,15)/t10-/m1/s1
InChIKeyWADJVRCUJJCUSY-SNVBAGLBSA-N
XLogP0.77
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
CID 45108547
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide (CID 106384933) is (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide is O=C(NCc1cc[nH]c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is WADJVRCUJJCUSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(10-3-1-2-5-13-10)14-8-9-4-6-12-7-9/h4,6-7,10,12-13H,1-3,5,8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide?
(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 106384933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).