N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C15H23N5O2 — CID 108912953

IUPACN-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5O2/c21-15(18-12-13-2-10-22-11-3-13)20-8-6-19(7-9-20)14-16-4-1-5-17-14/h1,4-5,13H,2-3,6-12H2,(H,18,21)
InChIKeyKLWNTXKGTQDXKJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.73
Rot. Bonds3

About N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 108912953) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID108912953
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H23N5O2/c21-15(18-12-13-2-10-22-11-3-13)20-8-6-19(7-9-20)14-16-4-1-5-17-14/h1,4-5,13H,2-3,6-12H2,(H,18,21)
InChIKeyKLWNTXKGTQDXKJ-UHFFFAOYSA-N
XLogP0.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
methyl 4-(oxan-4-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 108913044
N-[[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 99812603
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 42924620
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
(2R,3aS,7aS)-N-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366487
N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 136535276
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 108912953) is N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NCC1CCOCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is KLWNTXKGTQDXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c21-15(18-12-13-2-10-22-11-3-13)20-8-6-19(7-9-20)14-16-4-1-5-17-14/h1,4-5,13H,2-3,6-12H2,(H,18,21).
What are the key properties of N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108912953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).