N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide

C17H20N4O2 — CID 166262556

IUPACN-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C17H20N4O2/c22-11-13-1-3-15(4-2-13)20-17(23)21-9-6-14(7-10-21)16-5-8-18-12-19-16/h1-5,8,12,14,22H,6-7,9-11H2,(H,20,23)
InChIKeyRMGWAUGWAFSVGI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.38
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide

N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 166262556) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID166262556
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C17H20N4O2/c22-11-13-1-3-15(4-2-13)20-17(23)21-9-6-14(7-10-21)16-5-8-18-12-19-16/h1-5,8,12,14,22H,6-7,9-11H2,(H,20,23)
InChIKeyRMGWAUGWAFSVGI-UHFFFAOYSA-N
XLogP2.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125157690
N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 128737509
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
(3S)-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 125177080
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
(5-hydroxy-2-pyridinyl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 154846130
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 72917725
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide (CID 166262556) is N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide is O=C(Nc1ccc(CO)cc1)N1CCC(c2ccncn2)CC1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is RMGWAUGWAFSVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-11-13-1-3-15(4-2-13)20-17(23)21-9-6-14(7-10-21)16-5-8-18-12-19-16/h1-5,8,12,14,22H,6-7,9-11H2,(H,20,23).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide?
N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 166262556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).