2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide

C15H31N3O — CID 43691450

IUPAC2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
SMILESCCCC(CCC)NC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C15H31N3O/c1-4-6-13(7-5-2)17-14-8-10-18(11-9-14)12-15(19)16-3/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyKPZPXDODYRYIIV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds8

About 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 43691450) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID43691450
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
SMILESCCCC(CCC)NC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C15H31N3O/c1-4-6-13(7-5-2)17-14-8-10-18(11-9-14)12-15(19)16-3/h13-14,17H,4-12H2,1-3H3,(H,16,19)
InChIKeyKPZPXDODYRYIIV-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide 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-[4-(heptan-3-ylamino)piperidin-1-yl]-N-methylacetamide
CID 63944334
N-methyl-2-[4-(2-methylpentylamino)piperidin-1-yl]acetamide
CID 43691410
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 65225141
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800
2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
CID 43435262
N-heptan-4-yl-1-methylpiperidin-4-amine
CID 43373353
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
1-ethylsulfonyl-N-heptan-4-ylpiperidin-4-amine
CID 28731265
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
2-(3-ethyl-4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 114511071

Frequently Asked Questions

What is the IUPAC name of 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide (CID 43691450) is 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide is CCCC(CCC)NC1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is KPZPXDODYRYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-6-13(7-5-2)17-14-8-10-18(11-9-14)12-15(19)16-3/h13-14,17H,4-12H2,1-3H3,(H,16,19).
What are the key properties of 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 43691450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).