[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

C18H21N3O3 — CID 138023342

IUPAC[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(CO)(c3ccccc3)C2)ncn1
InChIInChI=1S/C18H21N3O3/c1-24-16-10-15(19-13-20-16)17(23)21-9-5-8-18(11-21,12-22)14-6-3-2-4-7-14/h2-4,6-7,10,13,22H,5,8-9,11-12H2,1H3
InChIKeySLHDAKBIEPKZQT-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.65
Rot. Bonds4

About [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 138023342) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
PubChem CID138023342
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC(CO)(c3ccccc3)C2)ncn1
InChIInChI=1S/C18H21N3O3/c1-24-16-10-15(19-13-20-16)17(23)21-9-5-8-18(11-21,12-22)14-6-3-2-4-7-14/h2-4,6-7,10,13,22H,5,8-9,11-12H2,1H3
InChIKeySLHDAKBIEPKZQT-UHFFFAOYSA-N
XLogP1.65
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
CID 136564429
(6-methoxypyrimidin-4-yl)-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 136564099
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 139004895
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
3-[[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]amino]propanoic acid
CID 122018216
(4-benzylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
CID 121167503
(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone
CID 146141522
[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 97149586
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
6-fluoro-3-[3-(hydroxymethyl)-3-phenylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 166251134
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (CID 138023342) is [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)N2CCCC(CO)(c3ccccc3)C2)ncn1.
What is the InChIKey of [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is SLHDAKBIEPKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-16-10-15(19-13-20-16)17(23)21-9-5-8-18(11-21,12-22)14-6-3-2-4-7-14/h2-4,6-7,10,13,22H,5,8-9,11-12H2,1H3.
What are the key properties of [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-phenylpiperidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 138023342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).