4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride

C18H27Cl3N2O — CID 119824958

IUPAC4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-2-12-22(15-8-10-21-11-9-15)18(23)5-3-4-14-6-7-16(19)17(20)13-14;/h6-7,13,15,21H,2-5,8-12H2,1H3;1H
InChIKeyPNTOTSKQJPLRQH-UHFFFAOYSA-N
MW393.79 g/mol
LogP4.73
Rot. Bonds7

About 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride

4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (PubChem CID 119824958) has the molecular formula C18H27Cl3N2O and a molecular weight of 393.79 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
PubChem CID119824958
Molecular FormulaC18H27Cl3N2O
Molecular Weight393.79 g/mol
Exact Mass392.12
IUPAC Name4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
SMILESCCCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-2-12-22(15-8-10-21-11-9-15)18(23)5-3-4-14-6-7-16(19)17(20)13-14;/h6-7,13,15,21H,2-5,8-12H2,1H3;1H
InChIKeyPNTOTSKQJPLRQH-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
N-piperidin-4-yl-N-propylhexanamide
CID 60807623
4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825419
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388493
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
4-(3,4-dichlorophenyl)-N-piperidin-4-ylbutanamide
CID 119388494
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride (CID 119824958) is 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is CCCN(C(=O)CCCc1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
The InChIKey is PNTOTSKQJPLRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O.ClH/c1-2-12-22(15-8-10-21-11-9-15)18(23)5-3-4-14-6-7-16(19)17(20)13-14;/h6-7,13,15,21H,2-5,8-12H2,1H3;1H.
What are the key properties of 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride?
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride has a molecular weight of 393.79 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 119824958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).