N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

C16H23ClN2O — CID 18083488

IUPACN-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C16H23ClN2O/c1-11-7-12(2)10-19(9-11)13(3)16(20)18-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10H2,1-3H3,(H,18,20)
InChIKeyMXNXUGZLEBGSEG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.64
Rot. Bonds3

About N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide

N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 18083488) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID18083488
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(C(C)C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C16H23ClN2O/c1-11-7-12(2)10-19(9-11)13(3)16(20)18-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10H2,1-3H3,(H,18,20)
InChIKeyMXNXUGZLEBGSEG-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430884
1-[1-(3-bromoanilino)-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121558

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide (CID 18083488) is N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is CC1CC(C)CN(C(C)C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is MXNXUGZLEBGSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-7-12(2)10-19(9-11)13(3)16(20)18-15-6-4-5-14(17)8-15/h4-6,8,11-13H,7,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide?
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 18083488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).