3-piperidin-4-yloxypropylcarbamic acid

C9H18N2O3 — CID 166772010

IUPAC3-piperidin-4-yloxypropylcarbamic acid
SMILESO=C(O)NCCCOC1CCNCC1
InChIInChI=1S/C9H18N2O3/c12-9(13)11-4-1-7-14-8-2-5-10-6-3-8/h8,10-11H,1-7H2,(H,12,13)
InChIKeyQKNJMBNLFMIEGS-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.41
Rot. Bonds5

About 3-piperidin-4-yloxypropylcarbamic acid

3-piperidin-4-yloxypropylcarbamic acid (PubChem CID 166772010) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-piperidin-4-yloxypropylcarbamic acid.

Molecular Properties

Compound Name3-piperidin-4-yloxypropylcarbamic acid
PubChem CID166772010
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-piperidin-4-yloxypropylcarbamic acid
SMILESO=C(O)NCCCOC1CCNCC1
InChIInChI=1S/C9H18N2O3/c12-9(13)11-4-1-7-14-8-2-5-10-6-3-8/h8,10-11H,1-7H2,(H,12,13)
InChIKeyQKNJMBNLFMIEGS-UHFFFAOYSA-N
XLogP0.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
2-methoxy-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63871786
N-(3-piperidin-4-yloxypropyl)but-2-enamide
CID 77009028
N-(3-piperidin-4-yloxypropyl)oxane-4-carboxamide
CID 63871444
2-ethoxy-N-(3-piperidin-4-yloxypropyl)acetamide
CID 55252228
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
5-methyl-N-(3-piperidin-4-yloxypropyl)furan-2-carboxamide
CID 55252129
1-butyl-3-(2-piperidin-4-yloxyethyl)urea
CID 55252329
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
2,2,2-trifluoro-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63869260
N-[3-(cyclopropylmethoxy)propyl]-3-piperidin-4-yloxypropanamide
CID 63876469
4-hydroxy-2-methyl-N-(3-piperidin-4-yloxypropyl)benzamide
CID 107672054

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yloxypropylcarbamic acid?
The IUPAC name of 3-piperidin-4-yloxypropylcarbamic acid (CID 166772010) is 3-piperidin-4-yloxypropylcarbamic acid.
What is the SMILES notation for 3-piperidin-4-yloxypropylcarbamic acid?
The canonical SMILES for 3-piperidin-4-yloxypropylcarbamic acid is O=C(O)NCCCOC1CCNCC1.
What is the InChIKey of 3-piperidin-4-yloxypropylcarbamic acid?
The InChIKey is QKNJMBNLFMIEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-9(13)11-4-1-7-14-8-2-5-10-6-3-8/h8,10-11H,1-7H2,(H,12,13).
What are the key properties of 3-piperidin-4-yloxypropylcarbamic acid?
3-piperidin-4-yloxypropylcarbamic acid has a molecular weight of 202.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yloxypropylcarbamic acid is sourced from PubChem (CID 166772010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).