(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone

C11H16ClN3O — CID 62535398

IUPAC(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C11H16ClN3O/c1-13-9-3-2-4-15(7-9)11(16)10-5-8(12)6-14-10/h5-6,9,13-14H,2-4,7H2,1H3
InChIKeyJCZBOUVHANSEMP-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.49
Rot. Bonds2

About (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 62535398) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID62535398
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(Cl)c[nH]2)C1
InChIInChI=1S/C11H16ClN3O/c1-13-9-3-2-4-15(7-9)11(16)10-5-8(12)6-14-10/h5-6,9,13-14H,2-4,7H2,1H3
InChIKeyJCZBOUVHANSEMP-UHFFFAOYSA-N
XLogP1.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 62068437
(4-chloro-1H-pyrrol-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 65417892
(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94667048
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
(4-chloro-1-ethylpyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62534647
(4-chloro-1H-pyrrol-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746683
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491533

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 62535398) is (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(Cl)c[nH]2)C1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is JCZBOUVHANSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-13-9-3-2-4-15(7-9)11(16)10-5-8(12)6-14-10/h5-6,9,13-14H,2-4,7H2,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 241.72 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 62535398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).