N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide

C19H30N2O — CID 97204902

IUPACN-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
SMILESCc1ccc(CCCNC(=O)CC[C@H]2CCCCN2C)cc1
InChIInChI=1S/C19H30N2O/c1-16-8-10-17(11-9-16)6-5-14-20-19(22)13-12-18-7-3-4-15-21(18)2/h8-11,18H,3-7,12-15H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyIGWDBTKGVDQUCB-GOSISDBHSA-N
MW302.46 g/mol
LogP3.31
Rot. Bonds7

About N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide

N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide (PubChem CID 97204902) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
PubChem CID97204902
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
SMILESCc1ccc(CCCNC(=O)CC[C@H]2CCCCN2C)cc1
InChIInChI=1S/C19H30N2O/c1-16-8-10-17(11-9-16)6-5-14-20-19(22)13-12-18-7-3-4-15-21(18)2/h8-11,18H,3-7,12-15H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyIGWDBTKGVDQUCB-GOSISDBHSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
N-(2-cyclopentylethyl)-4-(4-methylphenyl)butanamide
CID 55774639
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72891115
N-(cyclohexylmethyl)-4-(4-methylphenyl)butanamide
CID 55771489
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide?
The IUPAC name of N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide (CID 97204902) is N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide.
What is the SMILES notation for N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide?
The canonical SMILES for N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide is Cc1ccc(CCCNC(=O)CC[C@H]2CCCCN2C)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide?
The InChIKey is IGWDBTKGVDQUCB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16-8-10-17(11-9-16)6-5-14-20-19(22)13-12-18-7-3-4-15-21(18)2/h8-11,18H,3-7,12-15H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide?
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide has a molecular weight of 302.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide is sourced from PubChem (CID 97204902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).