N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide

C23H28N4O3 — CID 42850034

IUPACN-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1)C1CCCC1
InChIInChI=1S/C23H28N4O3/c28-22(17-30-20-8-2-1-3-9-20)27-14-12-26(13-15-27)21-11-10-19(16-24-21)25-23(29)18-6-4-5-7-18/h1-3,8-11,16,18H,4-7,12-15,17H2,(H,25,29)
InChIKeyGLMLTFMKWKAGQQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.94
Rot. Bonds6

About N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 42850034) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID42850034
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1)C1CCCC1
InChIInChI=1S/C23H28N4O3/c28-22(17-30-20-8-2-1-3-9-20)27-14-12-26(13-15-27)21-11-10-19(16-24-21)25-23(29)18-6-4-5-7-18/h1-3,8-11,16,18H,4-7,12-15,17H2,(H,25,29)
InChIKeyGLMLTFMKWKAGQQ-UHFFFAOYSA-N
XLogP2.94
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632262
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-[6-[4-[(2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42857578
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175013
N-[6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 46053392
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 42850034) is N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1)C1CCCC1.
What is the InChIKey of N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is GLMLTFMKWKAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(17-30-20-8-2-1-3-9-20)27-14-12-26(13-15-27)21-11-10-19(16-24-21)25-23(29)18-6-4-5-7-18/h1-3,8-11,16,18H,4-7,12-15,17H2,(H,25,29).
What are the key properties of N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 42850034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).