N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide

C21H23ClN4O3 — CID 53174982

IUPACN-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc1)C1CC1
InChIInChI=1S/C21H23ClN4O3/c22-16-3-6-18(7-4-16)25-9-11-26(12-10-25)20(27)14-29-19-8-5-17(13-23-19)24-21(28)15-1-2-15/h3-8,13,15H,1-2,9-12,14H2,(H,24,28)
InChIKeyGLPRRJFEZUBULQ-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.81
Rot. Bonds6

About N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 53174982) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID53174982
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc1)C1CC1
InChIInChI=1S/C21H23ClN4O3/c22-16-3-6-18(7-4-16)25-9-11-26(12-10-25)20(27)14-29-19-8-5-17(13-23-19)24-21(28)15-1-2-15/h3-8,13,15H,1-2,9-12,14H2,(H,24,28)
InChIKeyGLPRRJFEZUBULQ-UHFFFAOYSA-N
XLogP2.81
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175013
N-[6-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]acetamide
CID 53174914
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147556
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
CID 42663766
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034
N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide (CID 53174982) is N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nc1)C1CC1.
What is the InChIKey of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GLPRRJFEZUBULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c22-16-3-6-18(7-4-16)25-9-11-26(12-10-25)20(27)14-29-19-8-5-17(13-23-19)24-21(28)15-1-2-15/h3-8,13,15H,1-2,9-12,14H2,(H,24,28).
What are the key properties of N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 414.89 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 53174982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).