N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide

C17H22N2O — CID 104645593

IUPACN-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H22N2O/c20-17(19-12-5-3-9-18-10-12)16-14-8-7-11-4-1-2-6-13(11)15(14)16/h1-2,4,6,12,14-16,18H,3,5,7-10H2,(H,19,20)/t12-,14?,15?,16?/m1/s1
InChIKeyRUNMHDSCAYIKIF-YTIJQFLQSA-N
MW270.38 g/mol
LogP1.83
Rot. Bonds2

About N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide

N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide (PubChem CID 104645593) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
PubChem CID104645593
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H22N2O/c20-17(19-12-5-3-9-18-10-12)16-14-8-7-11-4-1-2-6-13(11)15(14)16/h1-2,4,6,12,14-16,18H,3,5,7-10H2,(H,19,20)/t12-,14?,15?,16?/m1/s1
InChIKeyRUNMHDSCAYIKIF-YTIJQFLQSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide with MolForge

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Related Compounds

N-piperidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126396
N-piperidin-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 112531038
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 104972141
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82745694
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712
2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
CID 119428540
N-piperidin-3-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119426705
N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397068
N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119426947
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
N-piperidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119427896
N-piperidin-3-ylbenzamide
CID 22017045

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide?
The IUPAC name of N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide (CID 104645593) is N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide is O=C(N[C@@H]1CCCNC1)C1C2CCc3ccccc3C21.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide?
The InChIKey is RUNMHDSCAYIKIF-YTIJQFLQSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(19-12-5-3-9-18-10-12)16-14-8-7-11-4-1-2-6-13(11)15(14)16/h1-2,4,6,12,14-16,18H,3,5,7-10H2,(H,19,20)/t12-,14?,15?,16?/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide?
N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide is sourced from PubChem (CID 104645593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).