N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide

C30H33N3O3 — CID 29140903

IUPACN-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide
SMILESO=C(c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H33N3O3/c34-28(33-19-17-32(18-20-33)23-24-7-3-1-4-8-24)25-11-13-27(14-12-25)31-29(35)30(15-21-36-22-16-30)26-9-5-2-6-10-26/h1-14H,15-23H2,(H,31,35)
InChIKeyKZMFQKBKXJBQNY-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.33
Rot. Bonds6

About N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide

N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide (PubChem CID 29140903) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide
PubChem CID29140903
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide
SMILESO=C(c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H33N3O3/c34-28(33-19-17-32(18-20-33)23-24-7-3-1-4-8-24)25-11-13-27(14-12-25)31-29(35)30(15-21-36-22-16-30)26-9-5-2-6-10-26/h1-14H,15-23H2,(H,31,35)
InChIKeyKZMFQKBKXJBQNY-UHFFFAOYSA-N
XLogP4.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55537878
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 17194989

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide (CID 29140903) is N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide is O=C(c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide?
The InChIKey is KZMFQKBKXJBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c34-28(33-19-17-32(18-20-33)23-24-7-3-1-4-8-24)25-11-13-27(14-12-25)31-29(35)30(15-21-36-22-16-30)26-9-5-2-6-10-26/h1-14H,15-23H2,(H,31,35).
What are the key properties of N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide?
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 29140903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).