N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide

C16H22N2O2 — CID 122622950

IUPACN-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide
SMILESO=C(NCO)c1ccc2c(c1)CC1(CCCNC1)CC2
InChIInChI=1S/C16H22N2O2/c19-11-18-15(20)13-3-2-12-4-6-16(9-14(12)8-13)5-1-7-17-10-16/h2-3,8,17,19H,1,4-7,9-11H2,(H,18,20)
InChIKeyTZGADVGHPGEMHX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.22
Rot. Bonds2

About N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide

N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide (PubChem CID 122622950) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide
PubChem CID122622950
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide
SMILESO=C(NCO)c1ccc2c(c1)CC1(CCCNC1)CC2
InChIInChI=1S/C16H22N2O2/c19-11-18-15(20)13-3-2-12-4-6-16(9-14(12)8-13)5-1-7-17-10-16/h2-3,8,17,19H,1,4-7,9-11H2,(H,18,20)
InChIKeyTZGADVGHPGEMHX-UHFFFAOYSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide?
The IUPAC name of N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide (CID 122622950) is N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide.
What is the SMILES notation for N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide?
The canonical SMILES for N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide is O=C(NCO)c1ccc2c(c1)CC1(CCCNC1)CC2.
What is the InChIKey of N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide?
The InChIKey is TZGADVGHPGEMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-11-18-15(20)13-3-2-12-4-6-16(9-14(12)8-13)5-1-7-17-10-16/h2-3,8,17,19H,1,4-7,9-11H2,(H,18,20).
What are the key properties of N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide?
N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-piperidine]-2-carboxamide is sourced from PubChem (CID 122622950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).