4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide

C18H26ClN7O2 — CID 54575166

IUPAC4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
InChIInChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27)
InChIKeyDOHQLPJVYWFFDT-UHFFFAOYSA-N
MW407.91 g/mol
LogP1.45
Rot. Bonds8

About 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide

4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide (PubChem CID 54575166) has the molecular formula C18H26ClN7O2 and a molecular weight of 407.91 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide
PubChem CID54575166
Molecular FormulaC18H26ClN7O2
Molecular Weight407.91 g/mol
Exact Mass407.18
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
InChIInChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27)
InChIKeyDOHQLPJVYWFFDT-UHFFFAOYSA-N
XLogP1.45
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Da-6886
CID 54575171
Brl 24682
CID 9797313
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]benzamide
CID 68593479
4-amino-5-chloro-2-methoxy-N-[[1-[3-(2-methylimidazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide
CID 54575168
4-amino-5-chloro-2-methoxy-N-[[1-[5-(triazol-1-yl)pentyl]piperidin-4-yl]methyl]benzamide
CID 54575170
4-amino-5-chloro-2-methoxy-N-[[1-[3-(triazol-2-yl)propyl]piperidin-4-yl]methyl]benzamide
CID 54575223
N-((1-(3-(1,2,4-triazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamide
CID 66780300
4-Amino-N-((R)-1-benzyl-pyrrolidin-3-ylmethyl)-5-chloro-2-methoxy-benzamide
CID 44380685
4-Amino-N-((S)-1-benzyl-pyrrolidin-3-ylmethyl)-5-chloro-2-methoxy-benzamide
CID 44380697
4-amino-5-chloro-2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]benzamide;hydrochloride
CID 45259913
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[3-(tetrazol-2-yl)propyl]piperidin-4-yl]benzamide
CID 127027374
DA-6886 (monohydrochloride)
CID 54575279

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide (CID 54575166) is 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide?
The InChIKey is DOHQLPJVYWFFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide has a molecular weight of 407.91 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[1-[3-(tetrazol-1-yl)propyl]piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 54575166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).