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

C19H29ClN4O5 — CID 19994858

IUPACethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1
InChIInChI=1S/C19H29ClN4O5/c1-4-29-19(26)22-6-8-24-7-5-15(17(11-24)28-3)23-18(25)12-9-13(20)14(21)10-16(12)27-2/h9-10,15,17H,4-8,11,21H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIQQUXOXSWNXXRB-UHFFFAOYSA-N
MW428.92 g/mol
LogP1.50
Rot. Bonds8

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

ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate (PubChem CID 19994858) has the molecular formula C19H29ClN4O5 and a molecular weight of 428.92 g/mol. Its IUPAC name is ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
PubChem CID19994858
Molecular FormulaC19H29ClN4O5
Molecular Weight428.92 g/mol
Exact Mass428.18
IUPAC Nameethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1
InChIInChI=1S/C19H29ClN4O5/c1-4-29-19(26)22-6-8-24-7-5-15(17(11-24)28-3)23-18(25)12-9-13(20)14(21)10-16(12)27-2/h9-10,15,17H,4-8,11,21H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIQQUXOXSWNXXRB-UHFFFAOYSA-N
XLogP1.50
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamic acid;hydrate
CID 70048632
N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]-4-methylpiperazine-1-carboxamide
CID 19994851
4-[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylcarbamoyl]benzoate
CID 24781263
ethyl 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetate;hydrochloride
CID 18981915
4-amino-5-chloro-N-[(3R,4S)-1-(3-hydroxypropyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 142644081
ethyl 4-[[2-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethylamino]methyl]benzoate
CID 11376325
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetic acid
CID 18545998
4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butyl N-methylcarbamate
CID 172761446
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-[3-methoxy-1-[(4-oxocyclohexyl)methyl]piperidin-4-yl]benzamide
CID 19994835
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 67922911
2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl pyrrolidine-1-carboxylate
CID 19994885

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate (CID 19994858) is ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate is CCOC(=O)NCCN1CCC(NC(=O)c2cc(Cl)c(N)cc2OC)C(OC)C1.
What is the InChIKey of ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate?
The InChIKey is IQQUXOXSWNXXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O5/c1-4-29-19(26)22-6-8-24-7-5-15(17(11-24)28-3)23-18(25)12-9-13(20)14(21)10-16(12)27-2/h9-10,15,17H,4-8,11,21H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate?
ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate has a molecular weight of 428.92 g/mol, XLogP of 1.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 19994858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).