1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one

C18H23N3O — CID 95549415

IUPAC1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
SMILESC[C@@H]1CN(c2ccccc2)CCN1C(=O)CCn1cccc1
InChIInChI=1S/C18H23N3O/c1-16-15-20(17-7-3-2-4-8-17)13-14-21(16)18(22)9-12-19-10-5-6-11-19/h2-8,10-11,16H,9,12-15H2,1H3/t16-/m1/s1
InChIKeyWPUUHIHBRYMNRP-MRXNPFEDSA-N
MW297.40 g/mol
LogP2.62
Rot. Bonds4

About 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one

1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one (PubChem CID 95549415) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
PubChem CID95549415
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
SMILESC[C@@H]1CN(c2ccccc2)CCN1C(=O)CCn1cccc1
InChIInChI=1S/C18H23N3O/c1-16-15-20(17-7-3-2-4-8-17)13-14-21(16)18(22)9-12-19-10-5-6-11-19/h2-8,10-11,16H,9,12-15H2,1H3/t16-/m1/s1
InChIKeyWPUUHIHBRYMNRP-MRXNPFEDSA-N
XLogP2.62
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 70719150
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
N-methyl-N-[3-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]methanesulfonamide
CID 95552114
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 124881894
2-(2-methylprop-2-enoxy)ethyl 4-(2-methyl-4-phenylpiperazin-1-yl)-4-oxobutanoate
CID 173307540
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
methyl 4-[(3R)-3-methyl-4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]benzoate
CID 95595698
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889415
3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414
N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741149
1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70772439
(2R)-4-[4-(2-methoxyethoxy)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 166758998

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one (CID 95549415) is 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one is C[C@@H]1CN(c2ccccc2)CCN1C(=O)CCn1cccc1.
What is the InChIKey of 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The InChIKey is WPUUHIHBRYMNRP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O/c1-16-15-20(17-7-3-2-4-8-17)13-14-21(16)18(22)9-12-19-10-5-6-11-19/h2-8,10-11,16H,9,12-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one?
1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 95549415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).