(4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone

C23H29N3O — CID 1334635

IUPAC(4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(25-14-8-3-9-15-25)26-18-16-24(17-19-26)22(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKeySUGUDTJGQZLJCX-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.00
Rot. Bonds3

About (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone

(4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone (PubChem CID 1334635) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone
PubChem CID1334635
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(25-14-8-3-9-15-25)26-18-16-24(17-19-26)22(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKeySUGUDTJGQZLJCX-UHFFFAOYSA-N
XLogP4.00
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnarizine
CID 1547484
Cyclizine
CID 6726
(E)-1-Benzhydryl-4-cinnamylpiperazine
CID 1615336
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
MT-45
CID 431865
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
1-(Diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2761
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
N,4-dibenzhydrylpiperazine-1-carboxamide
CID 10115592

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone (CID 1334635) is (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is SUGUDTJGQZLJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(25-14-8-3-9-15-25)26-18-16-24(17-19-26)22(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 363.50 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 1334635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).