N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide

C20H25N5O2 — CID 67241287

IUPACN-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C20H25N5O2/c26-20(16-6-10-25(11-7-16)19-5-8-22-14-23-19)24-17-3-1-15(2-4-17)18-13-21-9-12-27-18/h1-5,8,14,16,18,21H,6-7,9-13H2,(H,24,26)
InChIKeyNFWLJFBIOKZROR-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.99
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide

N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide (PubChem CID 67241287) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide
PubChem CID67241287
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)C1CCN(c2ccncn2)CC1
InChIInChI=1S/C20H25N5O2/c26-20(16-6-10-25(11-7-16)19-5-8-22-14-23-19)24-17-3-1-15(2-4-17)18-13-21-9-12-27-18/h1-5,8,14,16,18,21H,6-7,9-13H2,(H,24,26)
InChIKeyNFWLJFBIOKZROR-UHFFFAOYSA-N
XLogP1.99
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948
1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea;hydrochloride
CID 67239601
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
2-(4-morpholin-2-ylphenyl)-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanone
CID 58315539
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 90047611
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
N-(4-morpholin-2-ylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 67241056
(2R)-2-pyrimidin-4-ylmorpholine
CID 92615197
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704700

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide (CID 67241287) is N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)C1CCN(c2ccncn2)CC1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide?
The InChIKey is NFWLJFBIOKZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20(16-6-10-25(11-7-16)19-5-8-22-14-23-19)24-17-3-1-15(2-4-17)18-13-21-9-12-27-18/h1-5,8,14,16,18,21H,6-7,9-13H2,(H,24,26).
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide?
N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-1-pyrimidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 67241287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).