N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide

C16H23ClN2O — CID 54204989

IUPACN-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(CCCCl)CC2)cc1
InChIInChI=1S/C16H23ClN2O/c1-13-3-5-14(6-4-13)16(20)18-15-7-11-19(12-8-15)10-2-9-17/h3-6,15H,2,7-12H2,1H3,(H,18,20)
InChIKeyPRWWFPFQHRQVSV-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.82
Rot. Bonds5

About N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide

N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide (PubChem CID 54204989) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
PubChem CID54204989
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(CCCCl)CC2)cc1
InChIInChI=1S/C16H23ClN2O/c1-13-3-5-14(6-4-13)16(20)18-15-7-11-19(12-8-15)10-2-9-17/h3-6,15H,2,7-12H2,1H3,(H,18,20)
InChIKeyPRWWFPFQHRQVSV-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.82
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

N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
N-(1-butylpiperidin-4-yl)-4-(chloromethyl)benzamide
CID 43696349
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 112822743
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide (CID 54204989) is N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(CCCCl)CC2)cc1.
What is the InChIKey of N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide?
The InChIKey is PRWWFPFQHRQVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-13-3-5-14(6-4-13)16(20)18-15-7-11-19(12-8-15)10-2-9-17/h3-6,15H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide?
N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 54204989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).