2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide

C19H29N5O2 — CID 47072927

IUPAC2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cccc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C19H29N5O2/c1-14(18(25)22-19(26)20-2)21-16-4-3-5-17(12-16)24-10-8-23(9-11-24)13-15-6-7-15/h3-5,12,14-15,21H,6-11,13H2,1-2H3,(H2,20,22,25,26)
InChIKeyCRYZGEDTSVTDTP-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.47
Rot. Bonds6

About 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide

2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide (PubChem CID 47072927) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide
PubChem CID47072927
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cccc(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C19H29N5O2/c1-14(18(25)22-19(26)20-2)21-16-4-3-5-17(12-16)24-10-8-23(9-11-24)13-15-6-7-15/h3-5,12,14-15,21H,6-11,13H2,1-2H3,(H2,20,22,25,26)
InChIKeyCRYZGEDTSVTDTP-UHFFFAOYSA-N
XLogP1.47
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)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

(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
CID 47487849
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]hexa-2,4-dienamide
CID 76869763
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]oxolane-2-carboxamide
CID 94675789
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94651264
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 47071599
(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-2-carboxamide
CID 119902654
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]morpholine-3-carboxamide;trihydrochloride
CID 119902655
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836840

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide (CID 47072927) is 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1cccc(N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide?
The InChIKey is CRYZGEDTSVTDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14(18(25)22-19(26)20-2)21-16-4-3-5-17(12-16)24-10-8-23(9-11-24)13-15-6-7-15/h3-5,12,14-15,21H,6-11,13H2,1-2H3,(H2,20,22,25,26).
What are the key properties of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide?
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide has a molecular weight of 359.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 47072927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).