N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

C10H18N2O — CID 117125627

IUPACN-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESCC(C)NC(=O)CC1=CCNCC1
InChIInChI=1S/C10H18N2O/c1-8(2)12-10(13)7-9-3-5-11-6-4-9/h3,8,11H,4-7H2,1-2H3,(H,12,13)
InChIKeyBZCZMLNZCJFKTR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds3

About N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (PubChem CID 117125627) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
PubChem CID117125627
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESCC(C)NC(=O)CC1=CCNCC1
InChIInChI=1S/C10H18N2O/c1-8(2)12-10(13)7-9-3-5-11-6-4-9/h3,8,11H,4-7H2,1-2H3,(H,12,13)
InChIKeyBZCZMLNZCJFKTR-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide 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

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275068
N-[2-(1-methylpiperidin-3-yl)ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
CID 56714892
(4-methoxyphenyl) 2-(1,2,3,6-tetrahydropyridin-4-yl)acetate
CID 117125622
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
2-methylsulfanyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 114693692
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
(2S,3R)-2-[[2-(cyclohexen-1-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 104964499
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114693829
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (CID 117125627) is N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is CC(C)NC(=O)CC1=CCNCC1.
What is the InChIKey of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The InChIKey is BZCZMLNZCJFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)12-10(13)7-9-3-5-11-6-4-9/h3,8,11H,4-7H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is sourced from PubChem (CID 117125627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).