(1-formylpiperidin-4-yl)carbamic acid

C7H12N2O3 — CID 23075371

IUPAC(1-formylpiperidin-4-yl)carbamic acid
SMILESO=CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C7H12N2O3/c10-5-9-3-1-6(2-4-9)8-7(11)12/h5-6,8H,1-4H2,(H,11,12)
InChIKeyVNLINCWXHVHDMM-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.13
Rot. Bonds2

About (1-formylpiperidin-4-yl)carbamic acid

(1-formylpiperidin-4-yl)carbamic acid (PubChem CID 23075371) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1-formylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-formylpiperidin-4-yl)carbamic acid
PubChem CID23075371
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(1-formylpiperidin-4-yl)carbamic acid
SMILESO=CN1CCC(NC(=O)O)CC1
InChIInChI=1S/C7H12N2O3/c10-5-9-3-1-6(2-4-9)8-7(11)12/h5-6,8H,1-4H2,(H,11,12)
InChIKeyVNLINCWXHVHDMM-UHFFFAOYSA-N
XLogP-0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-formylpiperidin-4-yl)cyclopropanecarboxamide
CID 64992853
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 141160513
(1-formylpiperidin-4-yl)methylcarbamic acid
CID 156534111
N-(1-formylpyrrolidin-3-yl)cyclopropanecarboxamide
CID 145062512
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
4-(propan-2-ylamino)piperidine-1-carbaldehyde
CID 90863805
cyclohexylcarbamic acid;hydrate
CID 172719994
[(3R)-1-prop-2-enoylpyrrolidin-3-yl]carbamic acid
CID 155344249
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
(1-cyanopyrrolidin-3-yl)carbamic acid
CID 91325257
(4-iodocyclohexyl)carbamic acid
CID 68625935
(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028

Frequently Asked Questions

What is the IUPAC name of (1-formylpiperidin-4-yl)carbamic acid?
The IUPAC name of (1-formylpiperidin-4-yl)carbamic acid (CID 23075371) is (1-formylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-formylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-formylpiperidin-4-yl)carbamic acid is O=CN1CCC(NC(=O)O)CC1.
What is the InChIKey of (1-formylpiperidin-4-yl)carbamic acid?
The InChIKey is VNLINCWXHVHDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-5-9-3-1-6(2-4-9)8-7(11)12/h5-6,8H,1-4H2,(H,11,12).
What are the key properties of (1-formylpiperidin-4-yl)carbamic acid?
(1-formylpiperidin-4-yl)carbamic acid has a molecular weight of 172.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 23075371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).