2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

C21H22N4O — CID 94100658

IUPAC2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C21H22N4O/c26-20(14-16-8-9-17-5-1-2-6-18(17)13-16)24-19-7-3-12-25(15-19)21-22-10-4-11-23-21/h1-2,4-6,8-11,13,19H,3,7,12,14-15H2,(H,24,26)/t19-/m1/s1
InChIKeyFSHOSNDLBAZJIE-LJQANCHMSA-N
MW346.43 g/mol
LogP2.96
Rot. Bonds4

About 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (PubChem CID 94100658) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
PubChem CID94100658
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
SMILESO=C(Cc1ccc2ccccc2c1)N[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C21H22N4O/c26-20(14-16-8-9-17-5-1-2-6-18(17)13-16)24-19-7-3-12-25(15-19)21-22-10-4-11-23-21/h1-2,4-6,8-11,13,19H,3,7,12,14-15H2,(H,24,26)/t19-/m1/s1
InChIKeyFSHOSNDLBAZJIE-LJQANCHMSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
2-(4-phenylmethoxyphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 55802771
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
2-(5-acetylthiophen-3-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 125167855
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 97138600
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide (CID 94100658) is 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
The InChIKey is FSHOSNDLBAZJIE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N4O/c26-20(14-16-8-9-17-5-1-2-6-18(17)13-16)24-19-7-3-12-25(15-19)21-22-10-4-11-23-21/h1-2,4-6,8-11,13,19H,3,7,12,14-15H2,(H,24,26)/t19-/m1/s1.
What are the key properties of 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide?
2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide is sourced from PubChem (CID 94100658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).