2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide

C18H28N2O — CID 98771920

IUPAC2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
SMILESCC(C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)18(21)19-15(4)16-7-9-17(10-8-16)20-11-5-6-14(3)12-20/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyTYGKGHHEHUJRPJ-GJZGRUSLSA-N
MW288.44 g/mol
LogP3.76
Rot. Bonds4

About 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide

2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide (PubChem CID 98771920) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
PubChem CID98771920
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
SMILESCC(C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13(2)18(21)19-15(4)16-7-9-17(10-8-16)20-11-5-6-14(3)12-20/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyTYGKGHHEHUJRPJ-GJZGRUSLSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
2-(4-methylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125044027
4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505
1-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-propylurea
CID 125059089
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125043996
2,4-dichloro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 132659437
2,4-dichloro-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 99994549
3-(2-fluorophenyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 100513980
(2R)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 125063920
2-(1-methylpiperidin-4-yl)-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 99970017
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
4-chloro-2-fluoro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 133219418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide (CID 98771920) is 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide is CC(C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
The InChIKey is TYGKGHHEHUJRPJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)18(21)19-15(4)16-7-9-17(10-8-16)20-11-5-6-14(3)12-20/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide?
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide is sourced from PubChem (CID 98771920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).