1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one

C24H30N2O2 — CID 45248772

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCN(CC3CC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-22-11-9-21(10-12-22)23(20-5-3-2-4-6-20)17-24(27)26-15-13-25(14-16-26)18-19-7-8-19/h2-6,9-12,19,23H,7-8,13-18H2,1H3
InChIKeyZDMKAQDTUKJHOU-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.77
Rot. Bonds7

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one

1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 45248772) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID45248772
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(CC(=O)N2CCN(CC3CC3)CC2)c2ccccc2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-22-11-9-21(10-12-22)23(20-5-3-2-4-6-20)17-24(27)26-15-13-25(14-16-26)18-19-7-8-19/h2-6,9-12,19,23H,7-8,13-18H2,1H3
InChIKeyZDMKAQDTUKJHOU-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
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3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
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3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
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1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-(4-ethylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 42808911
(3S)-3-(3-methoxyphenyl)-1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 97018484
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110408508
1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2881442

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one (CID 45248772) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(CC(=O)N2CCN(CC3CC3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is ZDMKAQDTUKJHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-22-11-9-21(10-12-22)23(20-5-3-2-4-6-20)17-24(27)26-15-13-25(14-16-26)18-19-7-8-19/h2-6,9-12,19,23H,7-8,13-18H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 45248772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).