(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone

C28H31N3O3 — CID 35552494

IUPAC(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C28H31N3O3/c32-27(24-12-7-14-31(20-24)28(33)25-13-19-34-21-25)30-17-15-29(16-18-30)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13,19,21,24,26H,7,12,14-18,20H2/t24-/m0/s1
InChIKeyAEFGSYIADDMKSV-DEOSSOPVSA-N
MW457.57 g/mol
LogP4.07
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 35552494) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
PubChem CID35552494
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C28H31N3O3/c32-27(24-12-7-14-31(20-24)28(33)25-13-19-34-21-25)30-17-15-29(16-18-30)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13,19,21,24,26H,7,12,14-18,20H2/t24-/m0/s1
InChIKeyAEFGSYIADDMKSV-DEOSSOPVSA-N
XLogP4.07
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25368531
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
[1-(furan-3-carbonyl)piperidin-3-yl]-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 42958268
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
CID 92851226
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569506

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone (CID 35552494) is (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone is O=C(c1ccoc1)N1CCC[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is AEFGSYIADDMKSV-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-27(24-12-7-14-31(20-24)28(33)25-13-19-34-21-25)30-17-15-29(16-18-30)26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13,19,21,24,26H,7,12,14-18,20H2/t24-/m0/s1.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 457.57 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 35552494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).