N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

C17H21N5O — CID 112884566

IUPACN-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21N5O/c1-13(23)19-14-6-5-7-15(12-14)20-17-18-9-8-16(21-17)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyYWPDMBQIHYTQFG-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.17
Rot. Bonds4

About N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 112884566) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID112884566
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nccc(N3CCCCC3)n2)c1
InChIInChI=1S/C17H21N5O/c1-13(23)19-14-6-5-7-15(12-14)20-17-18-9-8-16(21-17)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3,(H,19,23)(H,18,20,21)
InChIKeyYWPDMBQIHYTQFG-UHFFFAOYSA-N
XLogP3.17
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 112883935
methyl 3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112901585
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
1-[3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 112910099
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
methyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112898963
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
1-[2-(3-propan-2-yloxyanilino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 123959112
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 112884566) is N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nccc(N3CCCCC3)n2)c1.
What is the InChIKey of N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is YWPDMBQIHYTQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13(23)19-14-6-5-7-15(12-14)20-17-18-9-8-16(21-17)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11H2,1H3,(H,19,23)(H,18,20,21).
What are the key properties of N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 112884566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).