4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid

C11H21N3O2 — CID 61244103

IUPAC4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(N2CCCNCC2)CCNCC1
InChIInChI=1S/C11H21N3O2/c15-10(16)11(2-5-13-6-3-11)14-8-1-4-12-7-9-14/h12-13H,1-9H2,(H,15,16)
InChIKeyHRQFQNNHIMHPMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.51
Rot. Bonds2

About 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid

4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid (PubChem CID 61244103) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
PubChem CID61244103
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(N2CCCNCC2)CCNCC1
InChIInChI=1S/C11H21N3O2/c15-10(16)11(2-5-13-6-3-11)14-8-1-4-12-7-9-14/h12-13H,1-9H2,(H,15,16)
InChIKeyHRQFQNNHIMHPMP-UHFFFAOYSA-N
XLogP-0.51
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 84765781
2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
CID 60993812
1-(1,4-diazepan-1-yl)-3-methoxycyclobutane-1-carboxylic acid
CID 106822616
2-(1,4-diazepan-1-yl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60993813
3-piperazin-1-ylthietane-3-carboxylic acid
CID 105454677
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
tert-butyl 1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylate
CID 167715885
1-(1,4-diazepan-1-yl)-3,3,5,5-tetramethylcyclohexane-1-carboxamide
CID 115999198
1-(1,4-diazepan-1-yl)-2-methylcyclohexane-1-carboxylic acid
CID 54890527
1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid
CID 55141799

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid (CID 61244103) is 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid is O=C(O)C1(N2CCCNCC2)CCNCC1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid?
The InChIKey is HRQFQNNHIMHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-10(16)11(2-5-13-6-3-11)14-8-1-4-12-7-9-14/h12-13H,1-9H2,(H,15,16).
What are the key properties of 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid?
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid has a molecular weight of 227.31 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 61244103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).