N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide

C23H36ClN5O4 — CID 67922931

IUPACN-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCCOC1CN(CCN(C)C(=O)N2CCCC2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C23H36ClN5O4/c1-4-33-21-15-28(12-11-27(2)23(31)29-8-5-6-9-29)10-7-19(21)26-22(30)16-13-17(24)18(25)14-20(16)32-3/h13-14,19,21H,4-12,15,25H2,1-3H3,(H,26,30)
InChIKeyRKPBIORWVZULGW-UHFFFAOYSA-N
MW482.03 g/mol
LogP2.29
Rot. Bonds8

About N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide

N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 67922931) has the molecular formula C23H36ClN5O4 and a molecular weight of 482.03 g/mol. Its IUPAC name is N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID67922931
Molecular FormulaC23H36ClN5O4
Molecular Weight482.03 g/mol
Exact Mass481.25
IUPAC NameN-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
SMILESCCOC1CN(CCN(C)C(=O)N2CCCC2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C23H36ClN5O4/c1-4-33-21-15-28(12-11-27(2)23(31)29-8-5-6-9-29)10-7-19(21)26-22(30)16-13-17(24)18(25)14-20(16)32-3/h13-14,19,21H,4-12,15,25H2,1-3H3,(H,26,30)
InChIKeyRKPBIORWVZULGW-UHFFFAOYSA-N
XLogP2.29
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl]-N-methylpyrrolidine-1-carboxamide;hydrate
CID 67922664
N-[2-[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]-N,4-dimethylpiperazine-1-carboxamide
CID 67922862
N-[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]-N,4-dimethylpiperazine-1-carboxamide
CID 15078539
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl pyrrolidine-1-carboxylate
CID 19994885
4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(3-oxo-3-piperidin-1-ylpropyl)piperidin-4-yl]benzamide
CID 19994844
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-[(3R,4S)-1-(3-hydroxypropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 142644081
ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
CID 19994858
tert-butyl N-[3-[(3R,4S)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]propyl]-N-methylcarbamate
CID 67922929
ethyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetate;hydrochloride
CID 18981915
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[2-(1-propanoylpiperidin-4-yl)ethyl]piperidin-4-yl]benzamide
CID 68593732

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide (CID 67922931) is N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide is CCOC1CN(CCN(C)C(=O)N2CCCC2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is RKPBIORWVZULGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClN5O4/c1-4-33-21-15-28(12-11-27(2)23(31)29-8-5-6-9-29)10-7-19(21)26-22(30)16-13-17(24)18(25)14-20(16)32-3/h13-14,19,21H,4-12,15,25H2,1-3H3,(H,26,30).
What are the key properties of N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide?
N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 482.03 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-ethoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 67922931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).