N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide

C15H29N3O2 — CID 106135108

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC(O)C1)N1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,18-8-6-16-7-9-18)14(20)17-11-12-4-3-5-13(19)10-12/h12-13,16,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyGRTWVXKFKPIHLS-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.34
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide

N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 106135108) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID106135108
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC(O)C1)N1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-15(2,18-8-6-16-7-9-18)14(20)17-11-12-4-3-5-13(19)10-12/h12-13,16,19H,3-11H2,1-2H3,(H,17,20)
InChIKeyGRTWVXKFKPIHLS-UHFFFAOYSA-N
XLogP0.34
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide 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-methyl-N-[(3-methylcyclopentyl)methyl]-2-piperazin-1-ylpropanamide
CID 107413127
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80551292
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide
CID 114094384
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
N-tert-butyl-2-[(3-hydroxycyclohexyl)methylamino]acetamide
CID 114147779
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide (CID 106135108) is N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCC1CCCC(O)C1)N1CCNCC1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is GRTWVXKFKPIHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,18-8-6-16-7-9-18)14(20)17-11-12-4-3-5-13(19)10-12/h12-13,16,19H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide?
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 283.42 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 106135108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).