N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide

C16H30N2O2 — CID 63869278

IUPACN-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
SMILESO=C(NCCCOC1CCNCC1)C1CCCCCC1
InChIInChI=1S/C16H30N2O2/c19-16(14-6-3-1-2-4-7-14)18-10-5-13-20-15-8-11-17-12-9-15/h14-15,17H,1-13H2,(H,18,19)
InChIKeyHLNJPVFHQFDMLD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.23
Rot. Bonds6

About N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide

N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide (PubChem CID 63869278) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
PubChem CID63869278
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
SMILESO=C(NCCCOC1CCNCC1)C1CCCCCC1
InChIInChI=1S/C16H30N2O2/c19-16(14-6-3-1-2-4-7-14)18-10-5-13-20-15-8-11-17-12-9-15/h14-15,17H,1-13H2,(H,18,19)
InChIKeyHLNJPVFHQFDMLD-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
N-(3-piperidin-4-yloxypropyl)oxane-4-carboxamide
CID 63871444
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
3-piperidin-4-yloxypropylcarbamic acid
CID 166772010
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
N-(3-cyclohexyloxypropyl)-2-piperidin-4-ylacetamide
CID 61275990
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
N-(3-cyclohexyloxypropyl)-3-piperidin-4-ylpropanamide
CID 62210078
N-(2-piperidin-4-yloxyethyl)cyclopent-3-ene-1-carboxamide
CID 64767379
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
2-methoxy-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63871786

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide?
The IUPAC name of N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide (CID 63869278) is N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide?
The canonical SMILES for N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide is O=C(NCCCOC1CCNCC1)C1CCCCCC1.
What is the InChIKey of N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide?
The InChIKey is HLNJPVFHQFDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c19-16(14-6-3-1-2-4-7-14)18-10-5-13-20-15-8-11-17-12-9-15/h14-15,17H,1-13H2,(H,18,19).
What are the key properties of N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide?
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide is sourced from PubChem (CID 63869278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).