N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide

C16H24N2O — CID 739962

IUPACN-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-3-7-15(11-13)17-16(19)8-10-18-9-4-6-14(2)12-18/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyTUTMXUDWEVNJIT-CQSZACIVSA-N
MW260.38 g/mol
LogP3.06
Rot. Bonds4

About N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide

N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide (PubChem CID 739962) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
PubChem CID739962
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
SMILESCc1cccc(NC(=O)CCN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-3-7-15(11-13)17-16(19)8-10-18-9-4-6-14(2)12-18/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyTUTMXUDWEVNJIT-CQSZACIVSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
CID 62546343
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
4-(4-hydroxy-3-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 114681479
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide (CID 739962) is N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide is Cc1cccc(NC(=O)CCN2CCC[C@@H](C)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is TUTMXUDWEVNJIT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-3-7-15(11-13)17-16(19)8-10-18-9-4-6-14(2)12-18/h3,5,7,11,14H,4,6,8-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide?
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 739962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).