N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide

C17H26N2O2 — CID 62211595

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(13-14-6-9-16(21-2)10-7-14)17(20)11-8-15-5-3-4-12-18-15/h6-7,9-10,15,18H,3-5,8,11-13H2,1-2H3
InChIKeyVCYVLESEHQEPID-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide

N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide (PubChem CID 62211595) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
PubChem CID62211595
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(13-14-6-9-16(21-2)10-7-14)17(20)11-8-15-5-3-4-12-18-15/h6-7,9-10,15,18H,3-5,8,11-13H2,1-2H3
InChIKeyVCYVLESEHQEPID-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205
N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
CID 62211493
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-piperidin-2-ylpropanamide
CID 64518835
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide
CID 61029723
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide (CID 62211595) is N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide is COc1ccc(CN(C)C(=O)CCC2CCCCN2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
The InChIKey is VCYVLESEHQEPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(13-14-6-9-16(21-2)10-7-14)17(20)11-8-15-5-3-4-12-18-15/h6-7,9-10,15,18H,3-5,8,11-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide?
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62211595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).