N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C17H21N5O — CID 18078446

IUPACN-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O/c1-14(16(23)20-15-6-3-2-4-7-15)21-10-12-22(13-11-21)17-18-8-5-9-19-17/h2-9,14H,10-13H2,1H3,(H,20,23)
InChIKeyCMRKGYSZMPGZQY-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.63
Rot. Bonds4

About N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 18078446) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID18078446
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H21N5O/c1-14(16(23)20-15-6-3-2-4-7-15)21-10-12-22(13-11-21)17-18-8-5-9-19-17/h2-9,14H,10-13H2,1H3,(H,20,23)
InChIKeyCMRKGYSZMPGZQY-UHFFFAOYSA-N
XLogP1.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445447
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 18078446) is N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)Nc1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is CMRKGYSZMPGZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-14(16(23)20-15-6-3-2-4-7-15)21-10-12-22(13-11-21)17-18-8-5-9-19-17/h2-9,14H,10-13H2,1H3,(H,20,23).
What are the key properties of N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 18078446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).