N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide

C28H40N2O — CID 58815775

IUPACN-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCC2(CCN(C3CCC4CCC(CC3)C4)CC2)c2ccccc21)C1CC1
InChIInChI=1S/C28H40N2O/c31-27(22-9-10-22)29-26-13-14-28(25-4-2-1-3-24(25)26)15-17-30(18-16-28)23-11-7-20-5-6-21(19-20)8-12-23/h1-4,20-23,26H,5-19H2,(H,29,31)/t20?,21?,23?,26-/m0/s1
InChIKeyGXUUNWNWLRGDAQ-AENDBOESSA-N
MW420.64 g/mol
LogP5.74
Rot. Bonds3

About N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide

N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide (PubChem CID 58815775) has the molecular formula C28H40N2O and a molecular weight of 420.64 g/mol. Its IUPAC name is N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
PubChem CID58815775
Molecular FormulaC28H40N2O
Molecular Weight420.64 g/mol
Exact Mass420.31
IUPAC NameN-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCC2(CCN(C3CCC4CCC(CC3)C4)CC2)c2ccccc21)C1CC1
InChIInChI=1S/C28H40N2O/c31-27(22-9-10-22)29-26-13-14-28(25-4-2-1-3-24(25)26)15-17-30(18-16-28)23-11-7-20-5-6-21(19-20)8-12-23/h1-4,20-23,26H,5-19H2,(H,29,31)/t20?,21?,23?,26-/m0/s1
InChIKeyGXUUNWNWLRGDAQ-AENDBOESSA-N
XLogP5.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide (CID 58815775) is N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide is O=C(N[C@H]1CCC2(CCN(C3CCC4CCC(CC3)C4)CC2)c2ccccc21)C1CC1.
What is the InChIKey of N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide?
The InChIKey is GXUUNWNWLRGDAQ-AENDBOESSA-N. The full InChI is InChI=1S/C28H40N2O/c31-27(22-9-10-22)29-26-13-14-28(25-4-2-1-3-24(25)26)15-17-30(18-16-28)23-11-7-20-5-6-21(19-20)8-12-23/h1-4,20-23,26H,5-19H2,(H,29,31)/t20?,21?,23?,26-/m0/s1.
What are the key properties of N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide?
N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide has a molecular weight of 420.64 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58815775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).