N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide

C18H28N2O — CID 771548

IUPACN-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESCc1cc(C)cc(NC(=O)CCN2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C18H28N2O/c1-13-7-14(2)10-17(9-13)19-18(21)5-6-20-11-15(3)8-16(4)12-20/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,19,21)/t15-,16+
InChIKeyOCLHVHHCVCPPFH-IYBDPMFKSA-N
MW288.44 g/mol
LogP3.61
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide

N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide (PubChem CID 771548) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
PubChem CID771548
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
SMILESCc1cc(C)cc(NC(=O)CCN2C[C@H](C)C[C@H](C)C2)c1
InChIInChI=1S/C18H28N2O/c1-13-7-14(2)10-17(9-13)19-18(21)5-6-20-11-15(3)8-16(4)12-20/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,19,21)/t15-,16+
InChIKeyOCLHVHHCVCPPFH-IYBDPMFKSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16784105
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 2901262
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
N-(3,5-dimethylphenyl)-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30736284
N-(3,5-dimethylphenyl)-3-thiomorpholin-4-ylpropanamide
CID 91837660
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide (CID 771548) is N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide is Cc1cc(C)cc(NC(=O)CCN2C[C@H](C)C[C@H](C)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
The InChIKey is OCLHVHHCVCPPFH-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-7-14(2)10-17(9-13)19-18(21)5-6-20-11-15(3)8-16(4)12-20/h7,9-10,15-16H,5-6,8,11-12H2,1-4H3,(H,19,21)/t15-,16+.
What are the key properties of N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide?
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 771548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).