N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

C19H20ClN3O4 — CID 113113450

IUPACN-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H20ClN3O4/c1-25-16-4-2-13(20)10-15(16)22-6-8-23(9-7-22)19(24)21-14-3-5-17-18(11-14)27-12-26-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
InChIKeyWXEQFKFUWAMPSB-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.43
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 113113450) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID113113450
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H20ClN3O4/c1-25-16-4-2-13(20)10-15(16)22-6-8-23(9-7-22)19(24)21-14-3-5-17-18(11-14)27-12-26-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
InChIKeyWXEQFKFUWAMPSB-UHFFFAOYSA-N
XLogP3.43
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 113113341
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113114068
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 108866282
N-(1,3-benzodioxol-5-yl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109293
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide (CID 113113450) is N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WXEQFKFUWAMPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-25-16-4-2-13(20)10-15(16)22-6-8-23(9-7-22)19(24)21-14-3-5-17-18(11-14)27-12-26-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).