N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide

C22H24N4O — CID 77091960

IUPACN-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1
InChIInChI=1S/C22H24N4O/c1-16(27)25-19-8-5-11-26(15-19)14-17-12-23-22(24-13-17)21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,25,27)
InChIKeyGASZFAOMVOKSPQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.40
Rot. Bonds4

About N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide

N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 77091960) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
PubChem CID77091960
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1
InChIInChI=1S/C22H24N4O/c1-16(27)25-19-8-5-11-26(15-19)14-17-12-23-22(24-13-17)21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,25,27)
InChIKeyGASZFAOMVOKSPQ-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 77097348
N-[1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]acetamide
CID 113402639
N-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 99956372
(3S)-N-(4-fluorophenyl)-1-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-amine
CID 25382358
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 94801163
N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide
CID 60526743

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide (CID 77091960) is N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2cnc(-c3cccc4ccccc34)nc2)C1.
What is the InChIKey of N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is GASZFAOMVOKSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(27)25-19-8-5-11-26(15-19)14-17-12-23-22(24-13-17)21-10-4-7-18-6-2-3-9-20(18)21/h2-4,6-7,9-10,12-13,19H,5,8,11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide?
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 77091960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).