[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea

C20H27N3O2 — CID 100615038

IUPAC[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CCCc1ccccc12
InChIInChI=1S/C20H27N3O2/c21-19(25)22-13-15-8-3-4-11-23(15)18(24)17-12-20(17)10-5-7-14-6-1-2-9-16(14)20/h1-2,6,9,15,17H,3-5,7-8,10-13H2,(H3,21,22,25)/t15-,17+,20-/m0/s1
InChIKeyCRUMKHCLIKWJRS-VPWXQRGCSA-N
MW341.46 g/mol
LogP2.33
Rot. Bonds3

About [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea

[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea (PubChem CID 100615038) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
PubChem CID100615038
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea
SMILESNC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CCCc1ccccc12
InChIInChI=1S/C20H27N3O2/c21-19(25)22-13-15-8-3-4-11-23(15)18(24)17-12-20(17)10-5-7-14-6-1-2-9-16(14)20/h1-2,6,9,15,17H,3-5,7-8,10-13H2,(H3,21,22,25)/t15-,17+,20-/m0/s1
InChIKeyCRUMKHCLIKWJRS-VPWXQRGCSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579007
3-amino-N-[[1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579006
(2R)-1-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)piperidine-2-carboxylic acid
CID 120689782
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
(3-hydroxypiperidin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone
CID 111477051
(2,3-dimethylpiperazin-1-yl)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120572403
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(2R)-2-(hydroxymethyl)-N-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyrrolidine-1-carboxamide
CID 97055283
(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one
CID 124732448
3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one
CID 119032912

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea?
The IUPAC name of [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea (CID 100615038) is [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea?
The canonical SMILES for [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea is NC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1C[C@]12CCCc1ccccc12.
What is the InChIKey of [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea?
The InChIKey is CRUMKHCLIKWJRS-VPWXQRGCSA-N. The full InChI is InChI=1S/C20H27N3O2/c21-19(25)22-13-15-8-3-4-11-23(15)18(24)17-12-20(17)10-5-7-14-6-1-2-9-16(14)20/h1-2,6,9,15,17H,3-5,7-8,10-13H2,(H3,21,22,25)/t15-,17+,20-/m0/s1.
What are the key properties of [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea?
[(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea has a molecular weight of 341.46 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(1'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 100615038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).