2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide

C11H19ClN2O — CID 66565784

IUPAC2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C(=O)CCl)C2CC2)CC1
InChIInChI=1S/C11H19ClN2O/c1-13-6-4-10(5-7-13)14(9-2-3-9)11(15)8-12/h9-10H,2-8H2,1H3
InChIKeyGYBWMCKRPBSWOS-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.31
Rot. Bonds3

About 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide

2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 66565784) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID66565784
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C(=O)CCl)C2CC2)CC1
InChIInChI=1S/C11H19ClN2O/c1-13-6-4-10(5-7-13)14(9-2-3-9)11(15)8-12/h9-10H,2-8H2,1H3
InChIKeyGYBWMCKRPBSWOS-UHFFFAOYSA-N
XLogP1.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-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

2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 66565787
2-chloro-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 66565746
2-chloro-N-cyclopropyl-N-(thiolan-3-yl)acetamide
CID 121203737
N-cyclopropyl-N-(1-methylpiperidin-4-yl)cyclopentanecarboxamide
CID 110872957
tert-butyl 4-[(2-chloroacetyl)-(oxan-4-yl)amino]piperidine-1-carboxylate
CID 146098352
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 66565785
3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874782
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]-N-cyclopropylacetamide
CID 66567496
2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
CID 66565766
5-chloro-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)pentanamide
CID 60948355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide (CID 66565784) is 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C(=O)CCl)C2CC2)CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is GYBWMCKRPBSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-13-6-4-10(5-7-13)14(9-2-3-9)11(15)8-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide?
2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 230.74 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 66565784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).