N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide

C15H21ClN2O — CID 739909

IUPACN-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-12-13(16)6-5-7-14(12)17-15(19)8-11-18-9-3-2-4-10-18/h5-7H,2-4,8-11H2,1H3,(H,17,19)
InChIKeyBLDCCBDMQYRXLO-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.46
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide

N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 739909) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide
PubChem CID739909
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-12-13(16)6-5-7-14(12)17-15(19)8-11-18-9-3-2-4-10-18/h5-7H,2-4,8-11H2,1H3,(H,17,19)
InChIKeyBLDCCBDMQYRXLO-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide (CID 739909) is N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide is Cc1c(Cl)cccc1NC(=O)CCN1CCCCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is BLDCCBDMQYRXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12-13(16)6-5-7-14(12)17-15(19)8-11-18-9-3-2-4-10-18/h5-7H,2-4,8-11H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide?
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 280.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 739909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).