2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide

C11H21ClN2O — CID 66565766

IUPAC2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)C1CCCN(C)C1
InChIInChI=1S/C11H21ClN2O/c1-9(2)14(11(15)7-12)10-5-4-6-13(3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyCOOURIVEHYRLLE-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.56
Rot. Bonds3

About 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide

2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide (PubChem CID 66565766) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
PubChem CID66565766
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)C1CCCN(C)C1
InChIInChI=1S/C11H21ClN2O/c1-9(2)14(11(15)7-12)10-5-4-6-13(3)8-10/h9-10H,4-8H2,1-3H3
InChIKeyCOOURIVEHYRLLE-UHFFFAOYSA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide 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-chloro-N-cyclopentyl-N-propan-2-ylacetamide
CID 54592476
2-chloro-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-N-propan-2-ylacetamide
CID 96553344
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
N-[(3R)-1-(2-chloroacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567488
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol
CID 66565655
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 66565787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide (CID 66565766) is 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CCl)C1CCCN(C)C1.
What is the InChIKey of 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide?
The InChIKey is COOURIVEHYRLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O/c1-9(2)14(11(15)7-12)10-5-4-6-13(3)8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide?
2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide has a molecular weight of 232.75 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 66565766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).