1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide

C27H34N2O3 — CID 55452456

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C27H34N2O3/c1-28(20-21-7-10-23(11-8-21)29-15-5-2-6-16-29)26(30)27(13-3-4-14-27)22-9-12-24-25(19-22)32-18-17-31-24/h7-12,19H,2-6,13-18,20H2,1H3
InChIKeyPVJGTFHCAXOAEY-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.92
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 55452456) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID55452456
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C27H34N2O3/c1-28(20-21-7-10-23(11-8-21)29-15-5-2-6-16-29)26(30)27(13-3-4-14-27)22-9-12-24-25(19-22)32-18-17-31-24/h7-12,19H,2-6,13-18,20H2,1H3
InChIKeyPVJGTFHCAXOAEY-UHFFFAOYSA-N
XLogP4.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopentane-1-carboxamide
CID 55742854
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 25332750
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-N-methylcyclobutane-1-carboxamide
CID 9168076
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 113198662
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 113216057
(2-morpholin-4-yl-2-oxoethyl) 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate
CID 26989506
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-morpholin-4-ylmethanone
CID 113198624
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopentane-1-carboxamide
CID 55679606
bis[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 19973671
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 46483094

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide (CID 55452456) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is PVJGTFHCAXOAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-28(20-21-7-10-23(11-8-21)29-15-5-2-6-16-29)26(30)27(13-3-4-14-27)22-9-12-24-25(19-22)32-18-17-31-24/h7-12,19H,2-6,13-18,20H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55452456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).