(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one

C19H24ClN3O — CID 124878800

IUPAC(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one
SMILESCN1CCN(C(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O/c1-21-10-12-23(13-11-21)19(24)14-17(15-22-8-2-3-9-22)16-4-6-18(20)7-5-16/h2-9,17H,10-15H2,1H3/t17-/m0/s1
InChIKeyNHDCILWNVCJCRS-KRWDZBQOSA-N
MW345.87 g/mol
LogP3.09
Rot. Bonds5

About (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one

(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one (PubChem CID 124878800) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one
PubChem CID124878800
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one
SMILESCN1CCN(C(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O/c1-21-10-12-23(13-11-21)19(24)14-17(15-22-8-2-3-9-22)16-4-6-18(20)7-5-16/h2-9,17H,10-15H2,1H3/t17-/m0/s1
InChIKeyNHDCILWNVCJCRS-KRWDZBQOSA-N
XLogP3.09
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[(3S)-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanoyl]piperidin-4-yl]acetate
CID 125431974
3-(4-chlorophenyl)-4-pyrrol-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butan-1-one
CID 71704090
(3S)-2-[(3S)-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124879571
11-[3-(4-chlorophenyl)-4-pyrrol-1-ylbutanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163046426
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
CID 97266725
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
(3S)-3-(4-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-4-pyrrol-1-ylbutanamide
CID 124879790
(3R)-3-(4-chlorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]-4-(tetrazol-1-yl)butan-1-one
CID 97266554
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one (CID 124878800) is (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one is CN1CCN(C(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one?
The InChIKey is NHDCILWNVCJCRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-21-10-12-23(13-11-21)19(24)14-17(15-22-8-2-3-9-22)16-4-6-18(20)7-5-16/h2-9,17H,10-15H2,1H3/t17-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one?
(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one has a molecular weight of 345.87 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one is sourced from PubChem (CID 124878800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).