5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

C13H25ClN2O — CID 43700529

IUPAC5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESCC(C)N1CCC(NC(=O)CCCCCl)CC1
InChIInChI=1S/C13H25ClN2O/c1-11(2)16-9-6-12(7-10-16)15-13(17)5-3-4-8-14/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyUPHZASJGLSTXEN-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.38
Rot. Bonds6

About 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide

5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (PubChem CID 43700529) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
PubChem CID43700529
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
SMILESCC(C)N1CCC(NC(=O)CCCCCl)CC1
InChIInChI=1S/C13H25ClN2O/c1-11(2)16-9-6-12(7-10-16)15-13(17)5-3-4-8-14/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyUPHZASJGLSTXEN-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
5-chloro-N-cyclooctylpentanamide
CID 28733608
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43700730
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)pentanamide
CID 43696327
4-chloro-N-cyclopropylbutanamide
CID 5152347
ethyl 4-oxo-4-[(1-propan-2-ylpiperidin-4-yl)amino]butanoate
CID 60669009
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-(1-propan-2-ylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide;N-(1-propan-2-ylpiperidin-4-yl)-5-(2H-triazol-4-yl)pentanamide;N-(1-propan-2-ylpiperidin-4-yl)-3-(2H-triazol-4-yl)propanamide
CID 158231246

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide (CID 43700529) is 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is CC(C)N1CCC(NC(=O)CCCCCl)CC1.
What is the InChIKey of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
The InChIKey is UPHZASJGLSTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O/c1-11(2)16-9-6-12(7-10-16)15-13(17)5-3-4-8-14/h11-12H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide?
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide has a molecular weight of 260.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 43700529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).