N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C12H18N4O — CID 3224207

IUPACN-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O/c1-2-13-11(17)10-4-8-16(9-5-10)12-14-6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,17)
InChIKeyWIAQQEXDEMTYQX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.83
Rot. Bonds3

About N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 3224207) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID3224207
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O/c1-2-13-11(17)10-4-8-16(9-5-10)12-14-6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,17)
InChIKeyWIAQQEXDEMTYQX-UHFFFAOYSA-N
XLogP0.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 3224207) is N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCNC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is WIAQQEXDEMTYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-13-11(17)10-4-8-16(9-5-10)12-14-6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,17).
What are the key properties of N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3224207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).