3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide

C19H29N3O2 — CID 109015843

IUPAC3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NCC1CCCO1
InChIInChI=1S/C19H29N3O2/c23-19(20-15-18-7-4-14-24-18)8-9-21-10-12-22(13-11-21)16-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,20,23)
InChIKeyJUWMZIBKLACJJA-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.49
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 109015843) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID109015843
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)NCC1CCCO1
InChIInChI=1S/C19H29N3O2/c23-19(20-15-18-7-4-14-24-18)8-9-21-10-12-22(13-11-21)16-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,20,23)
InChIKeyJUWMZIBKLACJJA-UHFFFAOYSA-N
XLogP1.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide 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

2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
1-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139567
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20953903
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 109015843) is 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)NCC1CCCO1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JUWMZIBKLACJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(20-15-18-7-4-14-24-18)8-9-21-10-12-22(13-11-21)16-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H,20,23).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 109015843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).