2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

C24H29N5O3 — CID 18272466

IUPAC2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESNC(=O)c1cc(N2CCCCC2)ccc1NCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H29N5O3/c25-23(31)19-14-17(29-12-4-1-5-13-29)10-11-20(19)26-15-22(30)28-21-7-3-2-6-18(21)24(32)27-16-8-9-16/h2-3,6-7,10-11,14,16,26H,1,4-5,8-9,12-13,15H2,(H2,25,31)(H,27,32)(H,28,30)
InChIKeyYSJWQNQGRQNJKU-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.72
Rot. Bonds8

About 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide

2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (PubChem CID 18272466) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
PubChem CID18272466
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
SMILESNC(=O)c1cc(N2CCCCC2)ccc1NCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H29N5O3/c25-23(31)19-14-17(29-12-4-1-5-13-29)10-11-20(19)26-15-22(30)28-21-7-3-2-6-18(21)24(32)27-16-8-9-16/h2-3,6-7,10-11,14,16,26H,1,4-5,8-9,12-13,15H2,(H2,25,31)(H,27,32)(H,28,30)
InChIKeyYSJWQNQGRQNJKU-UHFFFAOYSA-N
XLogP2.72
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide 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-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 86916369
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18275278
2-[[2-(4-carbamoylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 78793094
2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54811917
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 51260492
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 18278896
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
CID 24614903

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide (CID 18272466) is 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is NC(=O)c1cc(N2CCCCC2)ccc1NCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
The InChIKey is YSJWQNQGRQNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c25-23(31)19-14-17(29-12-4-1-5-13-29)10-11-20(19)26-15-22(30)28-21-7-3-2-6-18(21)24(32)27-16-8-9-16/h2-3,6-7,10-11,14,16,26H,1,4-5,8-9,12-13,15H2,(H2,25,31)(H,27,32)(H,28,30).
What are the key properties of 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide?
2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 2.72, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 18272466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).