N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide

C12H18N4O2 — CID 122260044

IUPACN-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C12H18N4O2/c1-2-14-12(17)16-7-3-4-10(8-16)18-11-5-6-13-9-15-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyBNPUMCQSTKXQTN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.05
Rot. Bonds3

About N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide

N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide (PubChem CID 122260044) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
PubChem CID122260044
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C12H18N4O2/c1-2-14-12(17)16-7-3-4-10(8-16)18-11-5-6-13-9-15-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyBNPUMCQSTKXQTN-UHFFFAOYSA-N
XLogP1.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080
1-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)imidazolidin-2-one
CID 122161089
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The IUPAC name of N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide (CID 122260044) is N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide is CCNC(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
The InChIKey is BNPUMCQSTKXQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-14-12(17)16-7-3-4-10(8-16)18-11-5-6-13-9-15-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide?
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122260044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).