N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide

C18H27ClN2O2 — CID 119804655

IUPACN-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CNC(=O)CC(C)C1CCNCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O2/c1-13(15-7-9-20-10-8-15)11-18(22)21-12-14(2)23-17-5-3-16(19)4-6-17/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,22)
InChIKeyKYHDKJIFHCCDCR-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide

N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide (PubChem CID 119804655) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
PubChem CID119804655
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CNC(=O)CC(C)C1CCNCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O2/c1-13(15-7-9-20-10-8-15)11-18(22)21-12-14(2)23-17-5-3-16(19)4-6-17/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,22)
InChIKeyKYHDKJIFHCCDCR-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide (CID 119804655) is N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide is CC(CNC(=O)CC(C)C1CCNCC1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide?
The InChIKey is KYHDKJIFHCCDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-13(15-7-9-20-10-8-15)11-18(22)21-12-14(2)23-17-5-3-16(19)4-6-17/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide has a molecular weight of 338.88 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119804655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).