4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide

C17H23ClN2O2 — CID 108563549

IUPAC4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)CCCCl)CC2)cc1
InChIInChI=1S/C17H23ClN2O2/c1-13-4-6-14(7-5-13)17(22)20-11-8-15(9-12-20)19-16(21)3-2-10-18/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyXFFWSKUSGUIICQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide

4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide (PubChem CID 108563549) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
PubChem CID108563549
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)CCCCl)CC2)cc1
InChIInChI=1S/C17H23ClN2O2/c1-13-4-6-14(7-5-13)17(22)20-11-8-15(9-12-20)19-16(21)3-2-10-18/h4-7,15H,2-3,8-12H2,1H3,(H,19,21)
InChIKeyXFFWSKUSGUIICQ-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.73
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

4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
3-(4-methylphenyl)-N-[1-(4-phenylbenzoyl)piperidin-4-yl]propanamide
CID 108556350
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
[3-[4-(4-chlorobutanoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108563337
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
CID 108563967
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide (CID 108563549) is 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide is Cc1ccc(C(=O)N2CCC(NC(=O)CCCCl)CC2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide?
The InChIKey is XFFWSKUSGUIICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-13-4-6-14(7-5-13)17(22)20-11-8-15(9-12-20)19-16(21)3-2-10-18/h4-7,15H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide?
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide has a molecular weight of 322.84 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108563549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).