2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C15H27ClN2O — CID 60716987

IUPAC2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C15H27ClN2O/c1-13(16)14(19)17-12-15(8-4-2-5-9-15)18-10-6-3-7-11-18/h13H,2-12H2,1H3,(H,17,19)
InChIKeyDIBGGFJPROCJSK-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 60716987) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID60716987
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCC(Cl)C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C15H27ClN2O/c1-13(16)14(19)17-12-15(8-4-2-5-9-15)18-10-6-3-7-11-18/h13H,2-12H2,1H3,(H,17,19)
InChIKeyDIBGGFJPROCJSK-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide 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-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
methyl 2-methyl-3-[[N'-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]carbamimidoyl]amino]propanoate;hydroiodide
CID 111292738
formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
CID 154909466
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 60716987) is 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is CC(Cl)C(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is DIBGGFJPROCJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O/c1-13(16)14(19)17-12-15(8-4-2-5-9-15)18-10-6-3-7-11-18/h13H,2-12H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 286.85 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 60716987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).