N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide

C18H30N4O — CID 72872940

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C18H30N4O/c1-4-9-22-10-6-16(7-11-22)13-18(23)19-8-5-17-20-14(2)12-15(3)21-17/h12,16H,4-11,13H2,1-3H3,(H,19,23)
InChIKeyCDLHRUILARVIRY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide (PubChem CID 72872940) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
PubChem CID72872940
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C18H30N4O/c1-4-9-22-10-6-16(7-11-22)13-18(23)19-8-5-17-20-14(2)12-15(3)21-17/h12,16H,4-11,13H2,1-3H3,(H,19,23)
InChIKeyCDLHRUILARVIRY-UHFFFAOYSA-N
XLogP2.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946
{[1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carbonyl]-amino}-acetic acid methyl ester
CID 649308
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide (CID 72872940) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(CC(=O)NCCc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is CDLHRUILARVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-9-22-10-6-16(7-11-22)13-18(23)19-8-5-17-20-14(2)12-15(3)21-17/h12,16H,4-11,13H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72872940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).