N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H27Cl3N2O — CID 119757975

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-12(15-4-3-7-21-11-15)8-18(23)22-13(2)9-14-5-6-16(19)10-17(14)20;/h5-6,10,12-13,15,21H,3-4,7-9,11H2,1-2H3,(H,22,23);1H
InChIKeyLTBXFJCRNHWFAB-UHFFFAOYSA-N
MW393.79 g/mol
LogP4.49
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119757975) has the molecular formula C18H27Cl3N2O and a molecular weight of 393.79 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119757975
Molecular FormulaC18H27Cl3N2O
Molecular Weight393.79 g/mol
Exact Mass392.12
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-12(15-4-3-7-21-11-15)8-18(23)22-13(2)9-14-5-6-16(19)10-17(14)20;/h5-6,10,12-13,15,21H,3-4,7-9,11H2,1-2H3,(H,22,23);1H
InChIKeyLTBXFJCRNHWFAB-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119716767
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
CID 119740642
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736178
N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791054
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681
4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride
CID 119712105

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119757975) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(Cc1ccc(Cl)cc1Cl)NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is LTBXFJCRNHWFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O.ClH/c1-12(15-4-3-7-21-11-15)8-18(23)22-13(2)9-14-5-6-16(19)10-17(14)20;/h5-6,10,12-13,15,21H,3-4,7-9,11H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 393.79 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119757975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).