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

C18H28Cl2N2O2 — CID 119725486

IUPACN-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CNC(=O)CC(C)C1CCNCC1)Oc1ccccc1Cl.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-13(15-7-9-20-10-8-15)11-18(22)21-12-14(2)23-17-6-4-3-5-16(17)19;/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,22);1H
InChIKeyHOPXJOCLHBUNJZ-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.67
Rot. Bonds7

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

N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119725486) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119725486
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CNC(=O)CC(C)C1CCNCC1)Oc1ccccc1Cl.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-13(15-7-9-20-10-8-15)11-18(22)21-12-14(2)23-17-6-4-3-5-16(17)19;/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,22);1H
InChIKeyHOPXJOCLHBUNJZ-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidin-4-ylbutanamide
CID 119810004
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119776288
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119725486) is N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CNC(=O)CC(C)C1CCNCC1)Oc1ccccc1Cl.Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is HOPXJOCLHBUNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2.ClH/c1-13(15-7-9-20-10-8-15)11-18(22)21-12-14(2)23-17-6-4-3-5-16(17)19;/h3-6,13-15,20H,7-12H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 375.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119725486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).