[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone

C27H33N3O2 — CID 42865330

IUPAC[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC(c2ccccc2)CN(C(=O)C2CC2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H33N3O2/c31-26(23-11-12-23)30-19-24(22-9-5-2-6-10-22)17-25(20-30)27(32)29-15-13-28(14-16-29)18-21-7-3-1-4-8-21/h1-10,23-25H,11-20H2
InChIKeyAGNNSQMHFUVHLA-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.37
Rot. Bonds5

About [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone

[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 42865330) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID42865330
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC(c2ccccc2)CN(C(=O)C2CC2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H33N3O2/c31-26(23-11-12-23)30-19-24(22-9-5-2-6-10-22)17-25(20-30)27(32)29-15-13-28(14-16-29)18-21-7-3-1-4-8-21/h1-10,23-25H,11-20H2
InChIKeyAGNNSQMHFUVHLA-UHFFFAOYSA-N
XLogP3.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 46065202
1-[(3S,5R)-3-(4-benzylpiperazine-1-carbonyl)-5-(3-methylphenyl)piperidin-1-yl]ethanone
CID 92995292
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
(4-benzylpiperazin-1-yl)-[(3S,5R)-5-(4-fluoro-3-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 92997366
1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344229
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone (CID 42865330) is [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone is O=C(C1CC(c2ccccc2)CN(C(=O)C2CC2)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is AGNNSQMHFUVHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c31-26(23-11-12-23)30-19-24(22-9-5-2-6-10-22)17-25(20-30)27(32)29-15-13-28(14-16-29)18-21-7-3-1-4-8-21/h1-10,23-25H,11-20H2.
What are the key properties of [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone?
[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 431.58 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 42865330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).