N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide

C17H24Cl2N2O — CID 3039078

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCC(NC(=O)CN1CCCCC1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2O/c1-3-16(13-7-8-14(18)15(19)10-13)20-17(22)11-21-9-5-4-6-12(21)2/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,20,22)
InChIKeyDKNHPENQXXJUQP-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.44
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide

N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 3039078) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID3039078
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide
SMILESCCC(NC(=O)CN1CCCCC1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2O/c1-3-16(13-7-8-14(18)15(19)10-13)20-17(22)11-21-9-5-4-6-12(21)2/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,20,22)
InChIKeyDKNHPENQXXJUQP-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide (CID 3039078) is N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide is CCC(NC(=O)CN1CCCCC1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is DKNHPENQXXJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-3-16(13-7-8-14(18)15(19)10-13)20-17(22)11-21-9-5-4-6-12(21)2/h7-8,10,12,16H,3-6,9,11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide?
N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 343.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3039078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).