N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide

C18H22ClN5O2 — CID 50954788

IUPACN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C18H22ClN5O2/c1-2-22-9-11-23(12-10-22)17-14(19)5-3-6-15(17)21-16(25)13-24-8-4-7-20-18(24)26/h3-8H,2,9-13H2,1H3,(H,21,25)
InChIKeyBTIRNQKOUWOPMR-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.68
Rot. Bonds5

About N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 50954788) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID50954788
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)Cn2cccnc2=O)CC1
InChIInChI=1S/C18H22ClN5O2/c1-2-22-9-11-23(12-10-22)17-14(19)5-3-6-15(17)21-16(25)13-24-8-4-7-20-18(24)26/h3-8H,2,9-13H2,1H3,(H,21,25)
InChIKeyBTIRNQKOUWOPMR-UHFFFAOYSA-N
XLogP1.68
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]butanamide
CID 952456
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4254373
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756
N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 3483865
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3906746
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
5-chloro-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 4653783
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 5021302
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 50954788) is N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide is CCN1CCN(c2c(Cl)cccc2NC(=O)Cn2cccnc2=O)CC1.
What is the InChIKey of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is BTIRNQKOUWOPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-2-22-9-11-23(12-10-22)17-14(19)5-3-6-15(17)21-16(25)13-24-8-4-7-20-18(24)26/h3-8H,2,9-13H2,1H3,(H,21,25).
What are the key properties of N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 50954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).