N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide

C22H27N3O — CID 138017410

IUPACN-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
SMILESNCc1ccccc1NC(=O)N1CCCC2(CCCc3ccccc32)C1
InChIInChI=1S/C22H27N3O/c23-15-18-8-2-4-11-20(18)24-21(26)25-14-6-13-22(16-25)12-5-9-17-7-1-3-10-19(17)22/h1-4,7-8,10-11H,5-6,9,12-16,23H2,(H,24,26)
InChIKeyIPNXSRPRVJPMQE-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.05
Rot. Bonds2

About N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide

N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide (PubChem CID 138017410) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
PubChem CID138017410
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
SMILESNCc1ccccc1NC(=O)N1CCCC2(CCCc3ccccc32)C1
InChIInChI=1S/C22H27N3O/c23-15-18-8-2-4-11-20(18)24-21(26)25-14-6-13-22(16-25)12-5-9-17-7-1-3-10-19(17)22/h1-4,7-8,10-11H,5-6,9,12-16,23H2,(H,24,26)
InChIKeyIPNXSRPRVJPMQE-UHFFFAOYSA-N
XLogP4.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 127437163
(3S)-3-amino-1-[(4R)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]butan-1-one
CID 129466127
N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
CID 174500073
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
pyrrolidin-2-yl(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl)methanone;hydrochloride
CID 119340083
(1-methylpyrazol-4-yl)-[(4S)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-yl]methanone
CID 124886336
2-methyl-4-(2-oxo-2-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylethyl)phthalazin-1-one
CID 166231935
N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 166231958
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 58054597
(6-methoxypyrimidin-4-yl)-spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethanone
CID 136564429
N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 126770812

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide (CID 138017410) is N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide is NCc1ccccc1NC(=O)N1CCCC2(CCCc3ccccc32)C1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?
The InChIKey is IPNXSRPRVJPMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c23-15-18-8-2-4-11-20(18)24-21(26)25-14-6-13-22(16-25)12-5-9-17-7-1-3-10-19(17)22/h1-4,7-8,10-11H,5-6,9,12-16,23H2,(H,24,26).
What are the key properties of N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?
N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 138017410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).