2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C16H23N5O4 — CID 72909134

IUPAC2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O4/c1-11-17-10-13(14(22)18-11)15(23)19-12-2-4-20(5-3-12)16(24)21-6-8-25-9-7-21/h10,12H,2-9H2,1H3,(H,19,23)(H,17,18,22)
InChIKeyLOKHQDWYTPLNQX-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.28
Rot. Bonds2

About 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72909134) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72909134
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC Name2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C16H23N5O4/c1-11-17-10-13(14(22)18-11)15(23)19-12-2-4-20(5-3-12)16(24)21-6-8-25-9-7-21/h10,12H,2-9H2,1H3,(H,19,23)(H,17,18,22)
InChIKeyLOKHQDWYTPLNQX-UHFFFAOYSA-N
XLogP-0.28
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
2-Tert-butyl-4-hydroxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-YL)pyrimidine-5-carboxamide
CID 70725285
2-cyclopropyl-5-{[2-(4-morpholinylmethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 70717670
2-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72926350
2-isopropyl-5-{[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91838492
2-cyclopropyl-5-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96368753
2-cyclopropyl-5-[(2S)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 96368755
3-N-(2-methoxyethyl)-2-oxo-1-N'-propan-2-ylspiro[6,7-dihydropyrrolo[1,2-a]pyrimidine-8,4'-piperidine]-1',3-dicarboxamide
CID 124227283
3-(morpholine-4-carbonyl)-2-oxo-N-propan-2-ylspiro[6,8-dihydropyrrolo[1,2-a]pyrimidine-7,4'-piperidine]-1'-carboxamide
CID 124237911
2-methyl-5-[(4-methyl-1-oxa-4,9-diazaspiro[5.5]undec-9-yl)carbonyl]-4(3H)-pyrimidinone
CID 138380084
2-methyl-5-{[rel-(4S,9aR)-4-propylhexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]carbonyl}-4(3H)-pyrimidinone
CID 155910323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 72909134) is 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LOKHQDWYTPLNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-11-17-10-13(14(22)18-11)15(23)19-12-2-4-20(5-3-12)16(24)21-6-8-25-9-7-21/h10,12H,2-9H2,1H3,(H,19,23)(H,17,18,22).
What are the key properties of 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72909134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).