N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide

C17H26N2O — CID 106627458

IUPACN-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)CC2CCCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)10-11-17(20)19(2)13-16-5-3-4-12-18-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyPGULHQWJLYRGES-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds5

About N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide

N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide (PubChem CID 106627458) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
PubChem CID106627458
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide
SMILESCc1ccc(CCC(=O)N(C)CC2CCCCN2)cc1
InChIInChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)10-11-17(20)19(2)13-16-5-3-4-12-18-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyPGULHQWJLYRGES-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 97164135
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
N-methyl-N-(piperidin-2-ylmethyl)nonanamide
CID 106627202
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 102635327
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide (CID 106627458) is N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide is Cc1ccc(CCC(=O)N(C)CC2CCCCN2)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide?
The InChIKey is PGULHQWJLYRGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)10-11-17(20)19(2)13-16-5-3-4-12-18-16/h6-9,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide?
N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)-N-(piperidin-2-ylmethyl)propanamide is sourced from PubChem (CID 106627458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).