4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride

C21H32Cl2N4O5 — CID 67055727

IUPAC4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)CO)CC2)CCO1.Cl
InChIInChI=1S/C21H31ClN4O5.ClH/c1-30-19-9-18(23)17(22)8-16(19)21(29)24-10-15-12-25(6-7-31-15)11-14-2-4-26(5-3-14)20(28)13-27;/h8-9,14-15,27H,2-7,10-13,23H2,1H3,(H,24,29);1H
InChIKeyJPGHQLMHUWECDJ-UHFFFAOYSA-N
MW491.42 g/mol
LogP1.01
Rot. Bonds7

About 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride (PubChem CID 67055727) has the molecular formula C21H32Cl2N4O5 and a molecular weight of 491.42 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride
PubChem CID67055727
Molecular FormulaC21H32Cl2N4O5
Molecular Weight491.42 g/mol
Exact Mass490.17
IUPAC Name4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)CO)CC2)CCO1.Cl
InChIInChI=1S/C21H31ClN4O5.ClH/c1-30-19-9-18(23)17(22)8-16(19)21(29)24-10-15-12-25(6-7-31-15)11-14-2-4-26(5-3-14)20(28)13-27;/h8-9,14-15,27H,2-7,10-13,23H2,1H3,(H,24,29);1H
InChIKeyJPGHQLMHUWECDJ-UHFFFAOYSA-N
XLogP1.01
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 51.01
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

CID 59510467
CID 59510467
4-amino-5-chloro-2-methoxy-N-[[(2S)-4-[(1-methylsulfonylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide
CID 67055744
2-[4-[[2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholin-4-yl]methyl]piperidin-1-yl]acetyl cyanide
CID 141247863
4-amino-5-chloro-2-ethoxy-N-[[4-[(1-methylpiperidin-4-yl)methyl]morpholin-2-yl]methyl]benzamide;2-hydroxyacetaldehyde
CID 143850814
ethyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 14877396
4-amino-5-chloro-2-ethoxy-N-[[4-[[1-(imidazole-1-carbonyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]benzamide
CID 59510491
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
tert-butyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 59510500
4-amino-5-chloro-2-methoxy-N-[[4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 3087008
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;(E)-but-2-enedioic acid
CID 6450587

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride (CID 67055727) is 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCC1CN(CC2CCN(C(=O)CO)CC2)CCO1.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is JPGHQLMHUWECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O5.ClH/c1-30-19-9-18(23)17(22)8-16(19)21(29)24-10-15-12-25(6-7-31-15)11-14-2-4-26(5-3-14)20(28)13-27;/h8-9,14-15,27H,2-7,10-13,23H2,1H3,(H,24,29);1H.
What are the key properties of 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 491.42 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[4-[[1-(2-hydroxyacetyl)piperidin-4-yl]methyl]morpholin-2-yl]methyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 67055727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).