N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide

C25H29N5O4 — CID 11532765

IUPACN-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cc(N3CCOCC3)nc(-c3ccc(CO)o3)n2)c1)C1CCNCC1
InChIInChI=1S/C25H29N5O4/c31-16-20-4-5-22(34-20)24-28-21(15-23(29-24)30-10-12-33-13-11-30)18-2-1-3-19(14-18)27-25(32)17-6-8-26-9-7-17/h1-5,14-15,17,26,31H,6-13,16H2,(H,27,32)
InChIKeyXUCRDRHSQIOVLU-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.67
Rot. Bonds6

About N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide

N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide (PubChem CID 11532765) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
PubChem CID11532765
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cc(N3CCOCC3)nc(-c3ccc(CO)o3)n2)c1)C1CCNCC1
InChIInChI=1S/C25H29N5O4/c31-16-20-4-5-22(34-20)24-28-21(15-23(29-24)30-10-12-33-13-11-30)18-2-1-3-19(14-18)27-25(32)17-6-8-26-9-7-17/h1-5,14-15,17,26,31H,6-13,16H2,(H,27,32)
InChIKeyXUCRDRHSQIOVLU-UHFFFAOYSA-N
XLogP2.67
TPSA112.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 174523676
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
N-[3-[5-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 154862591
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-[3-(4-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 45177772
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide (CID 11532765) is N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2cc(N3CCOCC3)nc(-c3ccc(CO)o3)n2)c1)C1CCNCC1.
What is the InChIKey of N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
The InChIKey is XUCRDRHSQIOVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c31-16-20-4-5-22(34-20)24-28-21(15-23(29-24)30-10-12-33-13-11-30)18-2-1-3-19(14-18)27-25(32)17-6-8-26-9-7-17/h1-5,14-15,17,26,31H,6-13,16H2,(H,27,32).
What are the key properties of N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide?
N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-(hydroxymethyl)furan-2-yl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11532765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).