4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide

C12H23ClN2O — CID 63307575

IUPAC4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(CN1CCCCC1)NC(=O)CCCCl
InChIInChI=1S/C12H23ClN2O/c1-11(14-12(16)6-5-7-13)10-15-8-3-2-4-9-15/h11H,2-10H2,1H3,(H,14,16)
InChIKeyLZQMRRHUFVQYDM-UHFFFAOYSA-N
MW246.78 g/mol
LogP2.00
Rot. Bonds6

About 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide

4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide (PubChem CID 63307575) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
PubChem CID63307575
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(CN1CCCCC1)NC(=O)CCCCl
InChIInChI=1S/C12H23ClN2O/c1-11(14-12(16)6-5-7-13)10-15-8-3-2-4-9-15/h11H,2-10H2,1H3,(H,14,16)
InChIKeyLZQMRRHUFVQYDM-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 61473760
4-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 79192946
2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 43695360
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556
5-(4-bromophenyl)-N-(1-piperidin-1-ylpropan-2-yl)pentanamide
CID 60508198
3-amino-N-(1-piperidin-1-ylpropan-2-yl)butanamide;dihydrochloride
CID 119851496
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
2-methyl-3-oxo-3-(1-piperidin-1-ylpropan-2-ylamino)propanoic acid
CID 114898104
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
3-(5-chlorothiophen-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 60508108
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide (CID 63307575) is 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide is CC(CN1CCCCC1)NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The InChIKey is LZQMRRHUFVQYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O/c1-11(14-12(16)6-5-7-13)10-15-8-3-2-4-9-15/h11H,2-10H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide has a molecular weight of 246.78 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-piperidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 63307575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).