4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide

C20H22ClN3O3 — CID 27537986

IUPAC4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O3/c21-16-3-1-2-4-17(16)23-7-9-24(10-8-23)20(25)22-14-15-5-6-18-19(13-15)27-12-11-26-18/h1-6,13H,7-12,14H2,(H,22,25)
InChIKeyIJGMTCHINPRHAX-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.14
Rot. Bonds3

About 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide

4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide (PubChem CID 27537986) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
PubChem CID27537986
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O3/c21-16-3-1-2-4-17(16)23-7-9-24(10-8-23)20(25)22-14-15-5-6-18-19(13-15)27-12-11-26-18/h1-6,13H,7-12,14H2,(H,22,25)
InChIKeyIJGMTCHINPRHAX-UHFFFAOYSA-N
XLogP3.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)piperazine-1-carbothioamide
CID 8626881
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 9326599
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 113108277
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108282
3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 36913411
1-(2-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)urea
CID 51168557
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 60588238
1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 24503215
4-(1,3-benzodioxol-5-ylmethyl)-N-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 110301206
4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
CID 132971440
N-benzyl-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 110368764

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide (CID 27537986) is 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide?
The InChIKey is IJGMTCHINPRHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-16-3-1-2-4-17(16)23-7-9-24(10-8-23)20(25)22-14-15-5-6-18-19(13-15)27-12-11-26-18/h1-6,13H,7-12,14H2,(H,22,25).
What are the key properties of 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 27537986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).