6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one

C19H30N4O3 — CID 86284160

IUPAC6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC(CN3CCOCC3)C2)nc(=O)[nH]1
InChIInChI=1S/C19H30N4O3/c1-14(2)10-16-11-17(21-19(25)20-16)18(24)23-5-3-4-15(13-23)12-22-6-8-26-9-7-22/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,21,25)
InChIKeyNRKWNXZQOUAACG-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.15
Rot. Bonds5

About 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one

6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one (PubChem CID 86284160) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
PubChem CID86284160
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC(CN3CCOCC3)C2)nc(=O)[nH]1
InChIInChI=1S/C19H30N4O3/c1-14(2)10-16-11-17(21-19(25)20-16)18(24)23-5-3-4-15(13-23)12-22-6-8-26-9-7-22/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,21,25)
InChIKeyNRKWNXZQOUAACG-UHFFFAOYSA-N
XLogP1.15
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-isobutyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 131899166
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide
CID 46992593
6-isobutyl-4-[(3-propylmorpholin-4-yl)carbonyl]pyrimidin-2(1H)-one
CID 56719135
6-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77092176
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 46991422
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391730
1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 52391731
9-[(6-Isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77092542
6-isobutyl-N-methyl-2-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,2-dihydropyrimidine-4-carboxamide
CID 86284254
6-isobutyl-2-oxo-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-1,2-dihydropyrimidine-4-carboxamide
CID 91781746
6-(2-methylpropyl)-4-[(3R)-3-propylmorpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 95222560
6-(2-methylpropyl)-4-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 95222561

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one (CID 86284160) is 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCCC(CN3CCOCC3)C2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The InChIKey is NRKWNXZQOUAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14(2)10-16-11-17(21-19(25)20-16)18(24)23-5-3-4-15(13-23)12-22-6-8-26-9-7-22/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,21,25).
What are the key properties of 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 86284160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).