4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

C22H27ClN4O5 — CID 69406086

IUPAC4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC(=O)Nc2ccc(O)cc2)CC1OC
InChIInChI=1S/C22H27ClN4O5/c1-31-19-10-17(24)16(23)9-15(19)22(30)26-18-7-8-27(11-20(18)32-2)12-21(29)25-13-3-5-14(28)6-4-13/h3-6,9-10,18,20,28H,7-8,11-12,24H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyFJZORPLNTHYWQU-UHFFFAOYSA-N
MW462.93 g/mol
LogP2.09
Rot. Bonds7

About 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide (PubChem CID 69406086) has the molecular formula C22H27ClN4O5 and a molecular weight of 462.93 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
PubChem CID69406086
Molecular FormulaC22H27ClN4O5
Molecular Weight462.93 g/mol
Exact Mass462.17
IUPAC Name4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC(=O)Nc2ccc(O)cc2)CC1OC
InChIInChI=1S/C22H27ClN4O5/c1-31-19-10-17(24)16(23)9-15(19)22(30)26-18-7-8-27(11-20(18)32-2)12-21(29)25-13-3-5-14(28)6-4-13/h3-6,9-10,18,20,28H,7-8,11-12,24H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyFJZORPLNTHYWQU-UHFFFAOYSA-N
XLogP2.09
TPSA126.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]phenyl]acetic acid
CID 91063900
propan-2-yl 4-[[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]benzoate
CID 11249587
2-(dimethylamino)ethyl 4-[[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]benzoate
CID 11168982
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetic acid
CID 18545998
[1-hydroxy-2-oxo-2-(piperidin-4-ylamino)ethyl] 4-[[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]benzoate
CID 141227440
ethyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetate;hydrochloride
CID 18981915
(1-hydroxy-2-pyridin-2-ylethyl) 4-[[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]benzoate
CID 141227437
4-amino-5-chloro-N-[(3R,4S)-1-(3-hydroxypropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 142644081
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl pyrrolidine-1-carboxylate
CID 19994885
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamic acid;hydrate
CID 70048632
4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[(4-oxocyclohexyl)methyl]piperidin-4-yl]benzamide
CID 19994835
ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
CID 19994858

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide (CID 69406086) is 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC(=O)Nc2ccc(O)cc2)CC1OC.
What is the InChIKey of 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
The InChIKey is FJZORPLNTHYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O5/c1-31-19-10-17(24)16(23)9-15(19)22(30)26-18-7-8-27(11-20(18)32-2)12-21(29)25-13-3-5-14(28)6-4-13/h3-6,9-10,18,20,28H,7-8,11-12,24H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide?
4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide has a molecular weight of 462.93 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[1-[2-(4-hydroxyanilino)-2-oxoethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide is sourced from PubChem (CID 69406086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).