(4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid

C20H24ClN3O3 — CID 23341826

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid
SMILESCOc1cc(N)c(Cl)cc1N(C(=O)O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O3/c1-27-19-12-17(22)16(21)11-18(19)24(20(25)26)15-7-9-23(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,25,26)
InChIKeyKODMXAVZMGBKHN-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.08
Rot. Bonds5

About (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid

(4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid (PubChem CID 23341826) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid
PubChem CID23341826
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid
SMILESCOc1cc(N)c(Cl)cc1N(C(=O)O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24ClN3O3/c1-27-19-12-17(22)16(21)11-18(19)24(20(25)26)15-7-9-23(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,25,26)
InChIKeyKODMXAVZMGBKHN-UHFFFAOYSA-N
XLogP4.08
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
N-(4-amino-5-chloro-2-methoxybenzoyl)-1-benzylpiperidin-4-amine oxide
CID 21121278
N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 13216276
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
4-amino-N-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]methyl]-5-chloro-2-methoxybenzamide
CID 10407929
(4-amino-5-chloro-2-methoxyphenyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119897004
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl) 4-amino-5-chloro-2-methoxybenzoate
CID 14403219
4-amino-N-[[1-(4-benzylsulfonylbutyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 54165330
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetamide
CID 9137299
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide
CID 10024275

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid (CID 23341826) is (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid is COc1cc(N)c(Cl)cc1N(C(=O)O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid?
The InChIKey is KODMXAVZMGBKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-27-19-12-17(22)16(21)11-18(19)24(20(25)26)15-7-9-23(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,25,26).
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid?
(4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid has a molecular weight of 389.88 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(1-benzylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 23341826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).