N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

C19H31N5O2 — CID 53165778

IUPACN-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-4-7-22(2)19(25)16-5-8-23(9-6-16)17-14-20-15-21-18(17)24-10-12-26-13-11-24/h14-16H,3-13H2,1-2H3
InChIKeyFMBYQTGBQVXORG-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.79
Rot. Bonds6

About N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 53165778) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID53165778
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-4-7-22(2)19(25)16-5-8-23(9-6-16)17-14-20-15-21-18(17)24-10-12-26-13-11-24/h14-16H,3-13H2,1-2H3
InChIKeyFMBYQTGBQVXORG-UHFFFAOYSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
8-(2-Methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3234388
8-(2-Methoxyethyl)-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3235519
[1-(6-Morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155514035
(4-Ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155561320
(4-Methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155563468
3-(6-Methyl-2-morpholin-4-yl-7-oxopteridin-8-yl)propanenitrile
CID 3232633
8-(2-Methoxyethyl)-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3233267
8-(2-Methoxyethyl)-2-morpholin-4-ylpteridin-7-one
CID 3233565
2-(4-methylpiperazin-1-yl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233685
6-methyl-2-morpholin-4-yl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233955
6,8-Dimethyl-2-morpholin-4-ylpteridin-7-one
CID 3234245

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide (CID 53165778) is N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is FMBYQTGBQVXORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-4-7-22(2)19(25)16-5-8-23(9-6-16)17-14-20-15-21-18(17)24-10-12-26-13-11-24/h14-16H,3-13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53165778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).