4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid

C13H23N3O4 — CID 67493633

IUPAC4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCCN(C(=O)O)CC2)CC1
InChIInChI=1S/C13H23N3O4/c1-20-11-3-7-15(8-4-11)12(17)14-5-2-6-16(10-9-14)13(18)19/h11H,2-10H2,1H3,(H,18,19)
InChIKeyZJSCEFRNSZWOSE-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.90
Rot. Bonds1

About 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid

4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid (PubChem CID 67493633) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid
PubChem CID67493633
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCCN(C(=O)O)CC2)CC1
InChIInChI=1S/C13H23N3O4/c1-20-11-3-7-15(8-4-11)12(17)14-5-2-6-16(10-9-14)13(18)19/h11H,2-10H2,1H3,(H,18,19)
InChIKeyZJSCEFRNSZWOSE-UHFFFAOYSA-N
XLogP0.90
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853
1-(4-methoxypiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071317
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
(3-methoxypyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 126752724
4-carbonochloridoyloxypiperidine-1-carboxylic acid
CID 146453029
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 103536351
1-(4-methoxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425244
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
1-(4-methoxypiperidine-1-carbonyl)imidazolidin-2-one
CID 126851083
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid?
The IUPAC name of 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid (CID 67493633) is 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid.
What is the SMILES notation for 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid?
The canonical SMILES for 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid is COC1CCN(C(=O)N2CCCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid?
The InChIKey is ZJSCEFRNSZWOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-20-11-3-7-15(8-4-11)12(17)14-5-2-6-16(10-9-14)13(18)19/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid?
4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidine-1-carbonyl)-1,4-diazepane-1-carboxylic acid is sourced from PubChem (CID 67493633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).