2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide

C16H24ClN3O — CID 139908152

IUPAC2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
SMILESNCCCN1CCC(CC(N)=O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c17-14-4-2-13(3-5-14)16(12-15(19)21)6-10-20(11-7-16)9-1-8-18/h2-5H,1,6-12,18H2,(H2,19,21)
InChIKeyFSZJLMMEWDRJMY-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.90
Rot. Bonds6

About 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide

2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide (PubChem CID 139908152) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
PubChem CID139908152
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide
SMILESNCCCN1CCC(CC(N)=O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O/c17-14-4-2-13(3-5-14)16(12-15(19)21)6-10-20(11-7-16)9-1-8-18/h2-5H,1,6-12,18H2,(H2,19,21)
InChIKeyFSZJLMMEWDRJMY-UHFFFAOYSA-N
XLogP1.90
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-iodo-4-phenylpiperidin-4-yl)acetamide
CID 138702076
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
4-[3-(4-chlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11200115
2-[1-(3,4-difluorophenyl)cyclobutyl]acetamide
CID 121344994
CID 10941657
CID 10941657
3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
CID 69409123
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
1-[4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]piperidin-4-yl]propan-1-one;dihydrochloride
CID 3031041
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dichlorophenyl)butan-1-one
CID 169436638
3-(5-chloro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 121353781
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide (CID 139908152) is 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide is NCCCN1CCC(CC(N)=O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide?
The InChIKey is FSZJLMMEWDRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-14-4-2-13(3-5-14)16(12-15(19)21)6-10-20(11-7-16)9-1-8-18/h2-5H,1,6-12,18H2,(H2,19,21).
What are the key properties of 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide?
2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)-4-(4-chlorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 139908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).