N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide

C11H19ClN2O — CID 126570517

IUPACN-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CC1CCN(Cl)CC1)C1CC1
InChIInChI=1S/C11H19ClN2O/c1-9(15)14(11-2-3-11)8-10-4-6-13(12)7-5-10/h10-11H,2-8H2,1H3
InChIKeyFGFBREWOBAUTAB-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.86
Rot. Bonds3

About N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide

N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide (PubChem CID 126570517) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide
PubChem CID126570517
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC NameN-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CC1CCN(Cl)CC1)C1CC1
InChIInChI=1S/C11H19ClN2O/c1-9(15)14(11-2-3-11)8-10-4-6-13(12)7-5-10/h10-11H,2-8H2,1H3
InChIKeyFGFBREWOBAUTAB-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide 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-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
2-chloro-N-cyclopropyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 66565787
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
CID 66567716
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
N-cyclopropyl-N-[[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 129007838
1-[cyclopropyl(cyclopropylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 64522393
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
CID 54876535
N-[(1-cyclopentylpyrrolidin-2-yl)methyl]-N-cyclopropylacetamide
CID 128992622
N-cyclopropyl-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 63104396
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407853
N-cyclopropyl-N-[[1-[(2R)-2-hydroxybutyl]pyrrolidin-2-yl]methyl]acetamide
CID 129000680

Frequently Asked Questions

What is the IUPAC name of N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide?
The IUPAC name of N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide (CID 126570517) is N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide is CC(=O)N(CC1CCN(Cl)CC1)C1CC1.
What is the InChIKey of N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide?
The InChIKey is FGFBREWOBAUTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-9(15)14(11-2-3-11)8-10-4-6-13(12)7-5-10/h10-11H,2-8H2,1H3.
What are the key properties of N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide?
N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide has a molecular weight of 230.74 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-chloropiperidin-4-yl)methyl]-N-cyclopropylacetamide is sourced from PubChem (CID 126570517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).