N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide

C14H22N4O — CID 118783160

IUPACN-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCN1CCCC(CNC(=O)c2cncnc2)C1
InChIInChI=1S/C14H22N4O/c1-2-5-18-6-3-4-12(10-18)7-17-14(19)13-8-15-11-16-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,17,19)
InChIKeyJBVMBFONKYHTOR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.33
Rot. Bonds5

About N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide

N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 118783160) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
PubChem CID118783160
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
SMILESCCCN1CCCC(CNC(=O)c2cncnc2)C1
InChIInChI=1S/C14H22N4O/c1-2-5-18-6-3-4-12(10-18)7-17-14(19)13-8-15-11-16-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,17,19)
InChIKeyJBVMBFONKYHTOR-UHFFFAOYSA-N
XLogP1.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 125137746
N-[[(3R)-1-propylpiperidin-3-yl]methyl]-4-sulfamoylbenzamide
CID 95215747
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 56706392
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
2-(5-methylpyrimidin-2-yl)sulfanyl-N-[(1-propylpiperidin-3-yl)methyl]acetamide
CID 23590438
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 131945640
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide (CID 118783160) is N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide is CCCN1CCCC(CNC(=O)c2cncnc2)C1.
What is the InChIKey of N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is JBVMBFONKYHTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-5-18-6-3-4-12(10-18)7-17-14(19)13-8-15-11-16-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,17,19).
What are the key properties of N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide?
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 118783160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).