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

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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).