1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide

C17H24N4O2 — CID 119872708

IUPAC1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N4O2/c18-17(6-7-17)16(23)19-12-15(22)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-5H,6-13,18H2,(H,19,23)
InChIKeyHUBGNVBGZNEFTD-UHFFFAOYSA-N
MW316.40 g/mol
LogP-0.06
Rot. Bonds5

About 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide (PubChem CID 119872708) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
PubChem CID119872708
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N4O2/c18-17(6-7-17)16(23)19-12-15(22)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-5H,6-13,18H2,(H,19,23)
InChIKeyHUBGNVBGZNEFTD-UHFFFAOYSA-N
XLogP-0.06
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide 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

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 17439386
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
1-benzyl-3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]urea
CID 42572867

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide (CID 119872708) is 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
The InChIKey is HUBGNVBGZNEFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-17(6-7-17)16(23)19-12-15(22)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-5H,6-13,18H2,(H,19,23).
What are the key properties of 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119872708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).