4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide

C14H20ClN3O3 — CID 53429651

IUPAC4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
SMILESCOc1c(C(=O)NC2CCNCC2)cc(Cl)c(N)c1OC
InChIInChI=1S/C14H20ClN3O3/c1-20-12-9(7-10(15)11(16)13(12)21-2)14(19)18-8-3-5-17-6-4-8/h7-8,17H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyQSYFKXCSCMDRJC-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide

4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide (PubChem CID 53429651) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
PubChem CID53429651
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
SMILESCOc1c(C(=O)NC2CCNCC2)cc(Cl)c(N)c1OC
InChIInChI=1S/C14H20ClN3O3/c1-20-12-9(7-10(15)11(16)13(12)21-2)14(19)18-8-3-5-17-6-4-8/h7-8,17H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyQSYFKXCSCMDRJC-UHFFFAOYSA-N
XLogP1.42
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3,4,5-trimethoxy-N-piperidin-4-ylbenzamide
CID 127217560
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
(5-chloro-2,3,4-trimethoxyphenyl)-piperidin-4-ylmethanone
CID 96709317
4-amino-5-chloro-2-methoxy-N-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 139786669
2,5-dichloro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119387750
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide (CID 53429651) is 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide is COc1c(C(=O)NC2CCNCC2)cc(Cl)c(N)c1OC.
What is the InChIKey of 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide?
The InChIKey is QSYFKXCSCMDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-20-12-9(7-10(15)11(16)13(12)21-2)14(19)18-8-3-5-17-6-4-8/h7-8,17H,3-6,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide?
4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide has a molecular weight of 313.79 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 53429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).