N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide

C21H27N5O — CID 11566790

IUPACN-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2ccc(C(C)N3CCN(c4ncccn4)CC3)cc2)CC1
InChIInChI=1S/C21H27N5O/c1-16(25-12-14-26(15-13-25)20-22-10-3-11-23-20)18-4-6-19(7-5-18)21(8-9-21)24-17(2)27/h3-7,10-11,16H,8-9,12-15H2,1-2H3,(H,24,27)
InChIKeyGPFBAVZLJXCOEF-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.48
Rot. Bonds5

About N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide

N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide (PubChem CID 11566790) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide
PubChem CID11566790
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2ccc(C(C)N3CCN(c4ncccn4)CC3)cc2)CC1
InChIInChI=1S/C21H27N5O/c1-16(25-12-14-26(15-13-25)20-22-10-3-11-23-20)18-4-6-19(7-5-18)21(8-9-21)24-17(2)27/h3-7,10-11,16H,8-9,12-15H2,1-2H3,(H,24,27)
InChIKeyGPFBAVZLJXCOEF-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide
CID 18423134
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
2-[4-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118902935
2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118911376
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975381
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582
N-(4-propan-2-ylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979005
(2R)-2-[4-(2-methoxyethoxy)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 97208791
N-[2-[4-[1-(1,3-benzothiazol-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]acetamide
CID 118911409

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide?
The IUPAC name of N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide (CID 11566790) is N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide?
The canonical SMILES for N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide is CC(=O)NC1(c2ccc(C(C)N3CCN(c4ncccn4)CC3)cc2)CC1.
What is the InChIKey of N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide?
The InChIKey is GPFBAVZLJXCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16(25-12-14-26(15-13-25)20-22-10-3-11-23-20)18-4-6-19(7-5-18)21(8-9-21)24-17(2)27/h3-7,10-11,16H,8-9,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide?
N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 11566790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).