(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone

C19H24ClN3O — CID 126436777

IUPAC(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C19H24ClN3O/c1-22(2)13-14-6-8-15(9-7-14)18-5-3-4-10-23(18)19(24)17-11-16(20)12-21-17/h6-9,11-12,18,21H,3-5,10,13H2,1-2H3/t18-/m1/s1
InChIKeyQWQMKCBAGWKRNL-GOSISDBHSA-N
MW345.87 g/mol
LogP4.10
Rot. Bonds4

About (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone (PubChem CID 126436777) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
PubChem CID126436777
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
SMILESCN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C19H24ClN3O/c1-22(2)13-14-6-8-15(9-7-14)18-5-3-4-10-23(18)19(24)17-11-16(20)12-21-17/h6-9,11-12,18,21H,3-5,10,13H2,1-2H3/t18-/m1/s1
InChIKeyQWQMKCBAGWKRNL-GOSISDBHSA-N
XLogP4.10
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 32985933
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CID 86911368
(4-chloro-2-methoxyphenyl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 131921576
(4-chloro-1H-pyrrol-2-yl)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 18130261
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 77098141
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone (CID 126436777) is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone is CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)cc1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
The InChIKey is QWQMKCBAGWKRNL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-22(2)13-14-6-8-15(9-7-14)18-5-3-4-10-23(18)19(24)17-11-16(20)12-21-17/h6-9,11-12,18,21H,3-5,10,13H2,1-2H3/t18-/m1/s1.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone has a molecular weight of 345.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126436777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).