ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate

C26H33N3O3 — CID 34292601

IUPACethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C26H33N3O3/c1-2-32-26(31)29-15-13-23(14-16-29)25(30)28-19-17-27(18-20-28)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3
InChIKeyZKBLCLWNXTUQGL-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.79
Rot. Bonds5

About ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate

ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 34292601) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID34292601
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Nameethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C26H33N3O3/c1-2-32-26(31)29-15-13-23(14-16-29)25(30)28-19-17-27(18-20-28)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3
InChIKeyZKBLCLWNXTUQGL-UHFFFAOYSA-N
XLogP3.79
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161
ethyl 4-[1-(2,6-dimethoxybenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 126029620
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
CID 10318399
ethyl 4-[[(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]amino]piperidine-1-carboxylate
CID 108832704
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
ethyl 4-(1-benzhydrylimidazole-2-carbonyl)piperidine-1-carboxylate
CID 11304622

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 34292601) is ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is ZKBLCLWNXTUQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-2-32-26(31)29-15-13-23(14-16-29)25(30)28-19-17-27(18-20-28)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3.
What are the key properties of ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate?
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 435.57 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 34292601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).