N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide

C27H31N5O3 — CID 174523676

IUPACN-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)c1)C1CCNCC1
InChIInChI=1S/C27H31N5O3/c33-17-18-3-1-5-21(13-18)26-31-23(15-24(32-26)25-16-29-11-12-35-25)20-4-2-6-22(14-20)30-27(34)19-7-9-28-10-8-19/h1-6,13-15,19,25,28-29,33H,7-12,16-17H2,(H,30,34)
InChIKeyHFYHMWGWMRNENC-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.90
Rot. Bonds6

About N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide

N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide (PubChem CID 174523676) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
PubChem CID174523676
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)c1)C1CCNCC1
InChIInChI=1S/C27H31N5O3/c33-17-18-3-1-5-21(13-18)26-31-23(15-24(32-26)25-16-29-11-12-35-25)20-4-2-6-22(14-20)30-27(34)19-7-9-28-10-8-19/h1-6,13-15,19,25,28-29,33H,7-12,16-17H2,(H,30,34)
InChIKeyHFYHMWGWMRNENC-UHFFFAOYSA-N
XLogP2.90
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide
CID 175250592
[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
CID 174523651
N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 11532765
N-[3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 154862591
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
2-morpholin-2-yl-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 66427419
[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]-piperidin-4-ylmethanone
CID 175605734
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174523685

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide (CID 174523676) is N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)c1)C1CCNCC1.
What is the InChIKey of N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is HFYHMWGWMRNENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c33-17-18-3-1-5-21(13-18)26-31-23(15-24(32-26)25-16-29-11-12-35-25)20-4-2-6-22(14-20)30-27(34)19-7-9-28-10-8-19/h1-6,13-15,19,25,28-29,33H,7-12,16-17H2,(H,30,34).
What are the key properties of N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 2.90, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 174523676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).