3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate

C24H31ClN4O4 — CID 67369244

IUPAC3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(c2cccc(CCCOC(N)=O)c2)CC1
InChIInChI=1S/C24H31ClN4O4/c1-32-22-14-21(26)20(25)13-19(22)23(30)28-15-17-7-9-29(10-8-17)18-6-2-4-16(12-18)5-3-11-33-24(27)31/h2,4,6,12-14,17H,3,5,7-11,15,26H2,1H3,(H2,27,31)(H,28,30)
InChIKeyRVBJNZCHAKTRFT-UHFFFAOYSA-N
MW474.99 g/mol
LogP3.61
Rot. Bonds9

About 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate

3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate (PubChem CID 67369244) has the molecular formula C24H31ClN4O4 and a molecular weight of 474.99 g/mol. Its IUPAC name is 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate.

Molecular Properties

Compound Name3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate
PubChem CID67369244
Molecular FormulaC24H31ClN4O4
Molecular Weight474.99 g/mol
Exact Mass474.20
IUPAC Name3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(c2cccc(CCCOC(N)=O)c2)CC1
InChIInChI=1S/C24H31ClN4O4/c1-32-22-14-21(26)20(25)13-19(22)23(30)28-15-17-7-9-29(10-8-17)18-6-2-4-16(12-18)5-3-11-33-24(27)31/h2,4,6,12-14,17H,3,5,7-11,15,26H2,1H3,(H2,27,31)(H,28,30)
InChIKeyRVBJNZCHAKTRFT-UHFFFAOYSA-N
XLogP3.61
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-chloro-N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-methoxybenzamide
CID 44522222
4-amino-N-[[1-(4-benzylsulfonylbutyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 54165330
4-amino-5-chloro-N-[[1-[5-(1,3-dioxoisoindol-2-yl)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54379569
4-amino-5-chloro-2-methoxy-N-[[1-(3-phenylsulfanylpropyl)piperidin-4-yl]methyl]benzamide
CID 54506693
2-[4-[[(2-fluorobenzoyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625656
4-amino-5-chloro-N-[[1-[2-(2-hydroxyphenyl)ethenyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 174744727
4-amino-5-chloro-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 45275446
4-amino-5-chloro-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 119899547
CID 59280146
CID 59280146
[2-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-2-(4-cyanophenyl)ethyl] carbamate
CID 67368899
[2-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethyl] carbamate;hydrochloride
CID 45274994
4-[3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]butanoic acid
CID 18981916

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate?
The IUPAC name of 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate (CID 67369244) is 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate.
What is the SMILES notation for 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate?
The canonical SMILES for 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(c2cccc(CCCOC(N)=O)c2)CC1.
What is the InChIKey of 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate?
The InChIKey is RVBJNZCHAKTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O4/c1-32-22-14-21(26)20(25)13-19(22)23(30)28-15-17-7-9-29(10-8-17)18-6-2-4-16(12-18)5-3-11-33-24(27)31/h2,4,6,12-14,17H,3,5,7-11,15,26H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate?
3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate has a molecular weight of 474.99 g/mol, XLogP of 3.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]phenyl]propyl carbamate is sourced from PubChem (CID 67369244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).