N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide

C20H32N4O2 — CID 51129439

IUPACN-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide
SMILESCC(C)CN1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c1-16(2)15-24-12-9-18(10-13-24)23-20(26)21-11-8-19(25)22-14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyOHLNEQNMLSNUEA-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.11
Rot. Bonds8

About N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide

N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide (PubChem CID 51129439) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide
PubChem CID51129439
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide
SMILESCC(C)CN1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c1-16(2)15-24-12-9-18(10-13-24)23-20(26)21-11-8-19(25)22-14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,22,25)(H2,21,23,26)
InChIKeyOHLNEQNMLSNUEA-UHFFFAOYSA-N
XLogP2.11
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide?
The IUPAC name of N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide (CID 51129439) is N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide?
The canonical SMILES for N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide is CC(C)CN1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide?
The InChIKey is OHLNEQNMLSNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16(2)15-24-12-9-18(10-13-24)23-20(26)21-11-8-19(25)22-14-17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3,(H,22,25)(H2,21,23,26).
What are the key properties of N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide?
N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide has a molecular weight of 360.50 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[1-(2-methylpropyl)piperidin-4-yl]carbamoylamino]propanamide is sourced from PubChem (CID 51129439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).