4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate

C20H31ClN4O5 — CID 172761446

IUPAC4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate
SMILESCNC(=O)OCCCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1
InChIInChI=1S/C20H31ClN4O5/c1-23-20(27)30-9-5-4-7-25-8-6-16(18(12-25)29-3)24-19(26)13-10-14(21)15(22)11-17(13)28-2/h10-11,16,18H,4-9,12,22H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLSXMKEBNCMPXSY-UHFFFAOYSA-N
MW442.94 g/mol
LogP1.89
Rot. Bonds9

About 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate

4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate (PubChem CID 172761446) has the molecular formula C20H31ClN4O5 and a molecular weight of 442.94 g/mol. Its IUPAC name is 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate.

Molecular Properties

Compound Name4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate
PubChem CID172761446
Molecular FormulaC20H31ClN4O5
Molecular Weight442.94 g/mol
Exact Mass442.20
IUPAC Name4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate
SMILESCNC(=O)OCCCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1
InChIInChI=1S/C20H31ClN4O5/c1-23-20(27)30-9-5-4-7-25-8-6-16(18(12-25)29-3)24-19(26)13-10-14(21)15(22)11-17(13)28-2/h10-11,16,18H,4-9,12,22H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLSXMKEBNCMPXSY-UHFFFAOYSA-N
XLogP1.89
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate 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-[(3R,4S)-1-(3-hydroxypropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 142644081
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 67922911
4-[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl-methylcarbamic acid
CID 70047365
4-amino-5-chloro-N-[(3S,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 6604902
4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(4-pyridin-3-yloxybutyl)piperidin-4-yl]benzamide
CID 14855018
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetic acid
CID 18545998
ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
CID 19994858
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl pyrrolidine-1-carboxylate
CID 19994885
4-amino-N-[(3R,4S)-1-[3-(2-amino-4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-5-chloro-2-methoxybenzamide
CID 15096946
8-[4-[6-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]hexanoylamino]piperidin-1-yl]octanoic acid
CID 157040521
4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide;hydrate
CID 6917697
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamic acid;hydrate
CID 70048632

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate?
The IUPAC name of 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate (CID 172761446) is 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate.
What is the SMILES notation for 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate?
The canonical SMILES for 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate is CNC(=O)OCCCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1.
What is the InChIKey of 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate?
The InChIKey is LSXMKEBNCMPXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN4O5/c1-23-20(27)30-9-5-4-7-25-8-6-16(18(12-25)29-3)24-19(26)13-10-14(21)15(22)11-17(13)28-2/h10-11,16,18H,4-9,12,22H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate?
4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate has a molecular weight of 442.94 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate is sourced from PubChem (CID 172761446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).