N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide

C16H24N4O3 — CID 124622149

IUPACN-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCOCc1cc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)ncn1
InChIInChI=1S/C16H24N4O3/c1-22-10-13-9-15(18-11-17-13)19-16(21)20-6-4-12(5-7-20)14-3-2-8-23-14/h9,11-12,14H,2-8,10H2,1H3,(H,17,18,19,21)/t14-/m0/s1
InChIKeyPLGHPZJGDRRRCY-AWEZNQCLSA-N
MW320.39 g/mol
LogP2.05
Rot. Bonds4

About N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide

N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide (PubChem CID 124622149) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
PubChem CID124622149
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
SMILESCOCc1cc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)ncn1
InChIInChI=1S/C16H24N4O3/c1-22-10-13-9-15(18-11-17-13)19-16(21)20-6-4-12(5-7-20)14-3-2-8-23-14/h9,11-12,14H,2-8,10H2,1H3,(H,17,18,19,21)/t14-/m0/s1
InChIKeyPLGHPZJGDRRRCY-AWEZNQCLSA-N
XLogP2.05
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide (CID 124622149) is N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide is COCc1cc(NC(=O)N2CCC([C@@H]3CCCO3)CC2)ncn1.
What is the InChIKey of N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
The InChIKey is PLGHPZJGDRRRCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-22-10-13-9-15(18-11-17-13)19-16(21)20-6-4-12(5-7-20)14-3-2-8-23-14/h9,11-12,14H,2-8,10H2,1H3,(H,17,18,19,21)/t14-/m0/s1.
What are the key properties of N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide?
N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methoxymethyl)pyrimidin-4-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 124622149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).