1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide

C22H24Cl2N2O3 — CID 133250707

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H24Cl2N2O3/c23-18-6-5-15(11-19(18)24)13-26-9-7-16(8-10-26)22(27)25-12-17-14-28-20-3-1-2-4-21(20)29-17/h1-6,11,16-17H,7-10,12-14H2,(H,25,27)
InChIKeyJXIYBQKPKSCQRM-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.16
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133250707) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133250707
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1COc2ccccc2O1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H24Cl2N2O3/c23-18-6-5-15(11-19(18)24)13-26-9-7-16(8-10-26)22(27)25-12-17-14-28-20-3-1-2-4-21(20)29-17/h1-6,11,16-17H,7-10,12-14H2,(H,25,27)
InChIKeyJXIYBQKPKSCQRM-UHFFFAOYSA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 133250581
(3S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 125077563
1-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 133250650
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
1-(1,3-benzoxazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 16594880
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[3-(2-chlorophenyl)propyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773335
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7432898
1-[(4-bromophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide
CID 133250652
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95353129

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide (CID 133250707) is 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide is O=C(NCC1COc2ccccc2O1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JXIYBQKPKSCQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c23-18-6-5-15(11-19(18)24)13-26-9-7-16(8-10-26)22(27)25-12-17-14-28-20-3-1-2-4-21(20)29-17/h1-6,11,16-17H,7-10,12-14H2,(H,25,27).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133250707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).