N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide

C20H26N4O2 — CID 70754540

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)Cn1cccnc1=O
InChIInChI=1S/C20H26N4O2/c1-22(19(25)16-24-11-5-10-21-20(24)26)14-18-8-12-23(13-9-18)15-17-6-3-2-4-7-17/h2-7,10-11,18H,8-9,12-16H2,1H3
InChIKeyURHWTUQAYWVUBI-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.61
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide

N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 70754540) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID70754540
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)Cn1cccnc1=O
InChIInChI=1S/C20H26N4O2/c1-22(19(25)16-24-11-5-10-21-20(24)26)14-18-8-12-23(13-9-18)15-17-6-3-2-4-7-17/h2-7,10-11,18H,8-9,12-16H2,1H3
InChIKeyURHWTUQAYWVUBI-UHFFFAOYSA-N
XLogP1.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
N-methyl-2-(2-oxo-1-pyridinyl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]acetamide
CID 129328998
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 70708863
N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 70777786
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134697080
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide (CID 70754540) is N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)Cn1cccnc1=O.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is URHWTUQAYWVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22(19(25)16-24-11-5-10-21-20(24)26)14-18-8-12-23(13-9-18)15-17-6-3-2-4-7-17/h2-7,10-11,18H,8-9,12-16H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 70754540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).