N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

C16H24N4O3 — CID 126944737

IUPACN-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C16H24N4O3/c21-15-3-6-17-12-20(15)11-13-4-7-19(8-5-13)16(22)18-10-14-2-1-9-23-14/h3,6,12-14H,1-2,4-5,7-11H2,(H,18,22)
InChIKeyOFDIEYOVPJSFKA-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.84
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide

N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 126944737) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID126944737
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C16H24N4O3/c21-15-3-6-17-12-20(15)11-13-4-7-19(8-5-13)16(22)18-10-14-2-1-9-23-14/h3,6,12-14H,1-2,4-5,7-11H2,(H,18,22)
InChIKeyOFDIEYOVPJSFKA-UHFFFAOYSA-N
XLogP0.84
TPSA76.46 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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
N-(oxolan-2-ylmethyl)-4-[[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]methyl]piperidine-1-carboxamide
CID 126863153
4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 126863858
N-(oxolan-2-ylmethyl)-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53165199
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 50809703
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101082
4-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 126915209
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105582

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide (CID 126944737) is N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is O=C(NCC1CCCO1)N1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is OFDIEYOVPJSFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-15-3-6-17-12-20(15)11-13-4-7-19(8-5-13)16(22)18-10-14-2-1-9-23-14/h3,6,12-14H,1-2,4-5,7-11H2,(H,18,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide?
N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126944737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).