N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C20H28N2O — CID 59433199

IUPACN-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CC3CC3)CC2)c2ccccc21
InChIInChI=1S/C20H28N2O/c1-15(23)21-19-8-9-20(18-5-3-2-4-17(18)19)10-12-22(13-11-20)14-16-6-7-16/h2-5,16,19H,6-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyKHGOYCXSNIPFCQ-IBGZPJMESA-N
MW312.46 g/mol
LogP3.40
Rot. Bonds3

About N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 59433199) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID59433199
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCC2(CCN(CC3CC3)CC2)c2ccccc21
InChIInChI=1S/C20H28N2O/c1-15(23)21-19-8-9-20(18-5-3-2-4-17(18)19)10-12-22(13-11-20)14-16-6-7-16/h2-5,16,19H,6-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyKHGOYCXSNIPFCQ-IBGZPJMESA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131
N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24875546
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541064
N-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(dimethylamino)acetamide
CID 134077715
4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen
CID 159330542
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
3-[(1S)-1'-(cyclopentylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59433056
N-cyclopropyl-2-[1'-(cyclopropylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131657389
N-[(1S)-1'-[4-(2-methylbutan-2-yl)cyclohexyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 160599665
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 59433199) is N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CCC2(CCN(CC3CC3)CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is KHGOYCXSNIPFCQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H28N2O/c1-15(23)21-19-8-9-20(18-5-3-2-4-17(18)19)10-12-22(13-11-20)14-16-6-7-16/h2-5,16,19H,6-14H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 312.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(cyclopropylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 59433199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).