N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide

C24H39ClN2O2 — CID 13061515

IUPACN,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
SMILESCCCCN(CCCC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C24H39ClN2O2/c1-4-6-15-27(16-7-5-2)23(28)20(3)24(29)13-18-26(19-14-24)17-12-21-10-8-9-11-22(21)25/h8-11,20,29H,4-7,12-19H2,1-3H3
InChIKeyWBCZJKAHDHPSFY-UHFFFAOYSA-N
MW423.04 g/mol
LogP4.77
Rot. Bonds11

About N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide

N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide (PubChem CID 13061515) has the molecular formula C24H39ClN2O2 and a molecular weight of 423.04 g/mol. Its IUPAC name is N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
PubChem CID13061515
Molecular FormulaC24H39ClN2O2
Molecular Weight423.04 g/mol
Exact Mass422.27
IUPAC NameN,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide
SMILESCCCCN(CCCC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C24H39ClN2O2/c1-4-6-15-27(16-7-5-2)23(28)20(3)24(29)13-18-26(19-14-24)17-12-21-10-8-9-11-22(21)25/h8-11,20,29H,4-7,12-19H2,1-3H3
InChIKeyWBCZJKAHDHPSFY-UHFFFAOYSA-N
XLogP4.77
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.04
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
The IUPAC name of N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide (CID 13061515) is N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide.
What is the SMILES notation for N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
The canonical SMILES for N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide is CCCCN(CCCC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
The InChIKey is WBCZJKAHDHPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39ClN2O2/c1-4-6-15-27(16-7-5-2)23(28)20(3)24(29)13-18-26(19-14-24)17-12-21-10-8-9-11-22(21)25/h8-11,20,29H,4-7,12-19H2,1-3H3.
What are the key properties of N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide?
N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide has a molecular weight of 423.04 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[1-[2-(2-chlorophenyl)ethyl]-4-hydroxypiperidin-4-yl]propanamide is sourced from PubChem (CID 13061515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).