N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

C20H27N3O3 — CID 55337800

IUPACN-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(CC3CCCO3)CC2)cc1)C1CC1
InChIInChI=1S/C20H27N3O3/c24-19(15-3-4-15)21-17-7-5-16(6-8-17)20(25)23-11-9-22(10-12-23)14-18-2-1-13-26-18/h5-8,15,18H,1-4,9-14H2,(H,21,24)
InChIKeyZLSKBIYAGYOLKU-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide

N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (PubChem CID 55337800) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
PubChem CID55337800
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(CC3CCCO3)CC2)cc1)C1CC1
InChIInChI=1S/C20H27N3O3/c24-19(15-3-4-15)21-17-7-5-16(6-8-17)20(25)23-11-9-22(10-12-23)14-18-2-1-13-26-18/h5-8,15,18H,1-4,9-14H2,(H,21,24)
InChIKeyZLSKBIYAGYOLKU-UHFFFAOYSA-N
XLogP1.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
CID 139375674
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55349251
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124504771
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
(3,4-dinitrophenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 121333742
2-(4-acetylanilino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 71140798

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide (CID 55337800) is N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCN(CC3CCCO3)CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ZLSKBIYAGYOLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(15-3-4-15)21-17-7-5-16(6-8-17)20(25)23-11-9-22(10-12-23)14-18-2-1-13-26-18/h5-8,15,18H,1-4,9-14H2,(H,21,24).
What are the key properties of N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide?
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55337800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).