4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide

C19H24N4O2 — CID 124996932

IUPAC4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
SMILESCCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-15-5-7-16(8-6-15)17(24)22-13-19(25)9-3-12-23(14-19)18-20-10-4-11-21-18/h4-8,10-11,25H,2-3,9,12-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyQWQQKKNPKTWFQA-IBGZPJMESA-N
MW340.43 g/mol
LogP1.80
Rot. Bonds5

About 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide

4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide (PubChem CID 124996932) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
PubChem CID124996932
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide
SMILESCCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-15-5-7-16(8-6-15)17(24)22-13-19(25)9-3-12-23(14-19)18-20-10-4-11-21-18/h4-8,10-11,25H,2-3,9,12-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyQWQQKKNPKTWFQA-IBGZPJMESA-N
XLogP1.80
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 110123666
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-(methoxymethyl)benzamide
CID 124962659
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 124997099
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124947808
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125027161
4-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]-4-oxobutanoic acid
CID 124963417
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124980268
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123712
2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 124977910
4-ethyl-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484723
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide (CID 124996932) is 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide is CCc1ccc(C(=O)NC[C@@]2(O)CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide?
The InChIKey is QWQQKKNPKTWFQA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-15-5-7-16(8-6-15)17(24)22-13-19(25)9-3-12-23(14-19)18-20-10-4-11-21-18/h4-8,10-11,25H,2-3,9,12-14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide?
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 124996932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).