N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide

C25H27N3O4 — CID 118633871

IUPACN-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCO4)CC3)cc2)c1)C1CC1
InChIInChI=1S/C25H27N3O4/c29-23(18-6-7-18)26-21-3-1-2-20(16-21)17-4-8-19(9-5-17)24(30)27-11-13-28(14-12-27)25(31)22-10-15-32-22/h1-5,8-9,16,18,22H,6-7,10-15H2,(H,26,29)
InChIKeyPOBHYHMRFACRHU-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.78
Rot. Bonds5

About N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide

N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide (PubChem CID 118633871) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
PubChem CID118633871
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCO4)CC3)cc2)c1)C1CC1
InChIInChI=1S/C25H27N3O4/c29-23(18-6-7-18)26-21-3-1-2-20(16-21)17-4-8-19(9-5-17)24(30)27-11-13-28(14-12-27)25(31)22-10-15-32-22/h1-5,8-9,16,18,22H,6-7,10-15H2,(H,26,29)
InChIKeyPOBHYHMRFACRHU-UHFFFAOYSA-N
XLogP2.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
cyclopropyl 3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzoate
CID 139377347
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide
CID 142573869
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide (CID 118633871) is N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2ccc(C(=O)N3CCN(C(=O)C4CCO4)CC3)cc2)c1)C1CC1.
What is the InChIKey of N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide?
The InChIKey is POBHYHMRFACRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-23(18-6-7-18)26-21-3-1-2-20(16-21)17-4-8-19(9-5-17)24(30)27-11-13-28(14-12-27)25(31)22-10-15-32-22/h1-5,8-9,16,18,22H,6-7,10-15H2,(H,26,29).
What are the key properties of N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide?
N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 118633871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).