2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide

C17H31N3O2 — CID 51081022

IUPAC2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCC1CCCN(C(C)CNC(=O)CCNC(=O)C2CC2C)C1
InChIInChI=1S/C17H31N3O2/c1-12-5-4-8-20(11-12)14(3)10-19-16(21)6-7-18-17(22)15-9-13(15)2/h12-15H,4-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyDOKKSIVOMJNRLH-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.39
Rot. Bonds7

About 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide

2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 51081022) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID51081022
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCC1CCCN(C(C)CNC(=O)CCNC(=O)C2CC2C)C1
InChIInChI=1S/C17H31N3O2/c1-12-5-4-8-20(11-12)14(3)10-19-16(21)6-7-18-17(22)15-9-13(15)2/h12-15H,4-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyDOKKSIVOMJNRLH-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 51081022) is 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide is CC1CCCN(C(C)CNC(=O)CCNC(=O)C2CC2C)C1.
What is the InChIKey of 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is DOKKSIVOMJNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12-5-4-8-20(11-12)14(3)10-19-16(21)6-7-18-17(22)15-9-13(15)2/h12-15H,4-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51081022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).