N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide

C21H27N5O2 — CID 138033404

IUPACN-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
SMILESCOc1ccc(-c2nccc(N3CCN(C(C)C(=O)NC4CC4)CC3)n2)cc1
InChIInChI=1S/C21H27N5O2/c1-15(21(27)23-17-5-6-17)25-11-13-26(14-12-25)19-9-10-22-20(24-19)16-3-7-18(28-2)8-4-16/h3-4,7-10,15,17H,5-6,11-14H2,1-2H3,(H,23,27)
InChIKeyQXQGYXUTHXILNN-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.94
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide (PubChem CID 138033404) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
PubChem CID138033404
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
SMILESCOc1ccc(-c2nccc(N3CCN(C(C)C(=O)NC4CC4)CC3)n2)cc1
InChIInChI=1S/C21H27N5O2/c1-15(21(27)23-17-5-6-17)25-11-13-26(14-12-25)19-9-10-22-20(24-19)16-3-7-18(28-2)8-4-16/h3-4,7-10,15,17H,5-6,11-14H2,1-2H3,(H,23,27)
InChIKeyQXQGYXUTHXILNN-UHFFFAOYSA-N
XLogP1.94
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 94810988
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46444817
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
CID 133287682
N-cyclopropyl-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51329173
N-cyclopropyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]propanamide
CID 43039511
2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 133434322
N-butan-2-yl-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53006937

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide (CID 138033404) is N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide is COc1ccc(-c2nccc(N3CCN(C(C)C(=O)NC4CC4)CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide?
The InChIKey is QXQGYXUTHXILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(21(27)23-17-5-6-17)25-11-13-26(14-12-25)19-9-10-22-20(24-19)16-3-7-18(28-2)8-4-16/h3-4,7-10,15,17H,5-6,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 138033404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).