N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide

C21H26N4O2 — CID 125157089

IUPACN-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
SMILESO=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C21H26N4O2/c26-21(17-4-1-3-16(11-17)18-12-22-15-23-13-18)24-19-6-8-25(9-7-19)14-20-5-2-10-27-20/h1,3-4,11-13,15,19-20H,2,5-10,14H2,(H,24,26)/t20-/m0/s1
InChIKeyPWGWPFYJIDKMKU-FQEVSTJZSA-N
MW366.46 g/mol
LogP2.52
Rot. Bonds5

About N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide

N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide (PubChem CID 125157089) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
PubChem CID125157089
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
SMILESO=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C21H26N4O2/c26-21(17-4-1-3-16(11-17)18-12-22-15-23-13-18)24-19-6-8-25(9-7-19)14-20-5-2-10-27-20/h1,3-4,11-13,15,19-20H,2,5-10,14H2,(H,24,26)/t20-/m0/s1
InChIKeyPWGWPFYJIDKMKU-FQEVSTJZSA-N
XLogP2.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29107228
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
3-(2-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 70729452
3-N-cyclopropyl-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109050678
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide (CID 125157089) is N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide is O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1cccc(-c2cncnc2)c1.
What is the InChIKey of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide?
The InChIKey is PWGWPFYJIDKMKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(17-4-1-3-16(11-17)18-12-22-15-23-13-18)24-19-6-8-25(9-7-19)14-20-5-2-10-27-20/h1,3-4,11-13,15,19-20H,2,5-10,14H2,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide?
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 125157089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).