N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide

C18H22N4O3 — CID 154798925

IUPACN-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
SMILESCOc1ncncc1NC(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-17-16(11-19-13-20-17)21-18(23)22-9-7-14(8-10-22)12-25-15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,23)
InChIKeySSXQNMDMDOUABC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.81
Rot. Bonds5

About N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide

N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide (PubChem CID 154798925) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
PubChem CID154798925
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
SMILESCOc1ncncc1NC(=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-24-17-16(11-19-13-20-17)21-18(23)22-9-7-14(8-10-22)12-25-15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,23)
InChIKeySSXQNMDMDOUABC-UHFFFAOYSA-N
XLogP2.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
4-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-(4-methoxypyrimidin-5-yl)piperidine-1-carboxamide
CID 99638467
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
N-(2-methoxyphenyl)-4-(2-pyridin-4-yloxyethyl)piperidine-1-carboxamide
CID 53150975
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
N-(9-ethylcarbazol-3-yl)-4-(phenoxymethyl)piperidine-1-carboxamide
CID 70245677
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 56818972
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide (CID 154798925) is N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide is COc1ncncc1NC(=O)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
The InChIKey is SSXQNMDMDOUABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-17-16(11-19-13-20-17)21-18(23)22-9-7-14(8-10-22)12-25-15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,21,23).
What are the key properties of N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide?
N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-5-yl)-4-(phenoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 154798925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).