1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea

C19H25N3O2 — CID 98850145

IUPAC1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@@H]1C[C@]12CCCc1ccccc12)N[C@H]1CCCNC1=O
InChIInChI=1S/C19H25N3O2/c23-17-16(8-4-10-20-17)22-18(24)21-12-14-11-19(14)9-3-6-13-5-1-2-7-15(13)19/h1-2,5,7,14,16H,3-4,6,8-12H2,(H,20,23)(H2,21,22,24)/t14-,16-,19+/m0/s1
InChIKeyRGJZVPNRFRJZLW-URLQWDBASA-N
MW327.43 g/mol
LogP1.86
Rot. Bonds3

About 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea

1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 98850145) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID98850145
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@@H]1C[C@]12CCCc1ccccc12)N[C@H]1CCCNC1=O
InChIInChI=1S/C19H25N3O2/c23-17-16(8-4-10-20-17)22-18(24)21-12-14-11-19(14)9-3-6-13-5-1-2-7-15(13)19/h1-2,5,7,14,16H,3-4,6,8-12H2,(H,20,23)(H2,21,22,24)/t14-,16-,19+/m0/s1
InChIKeyRGJZVPNRFRJZLW-URLQWDBASA-N
XLogP1.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
5-oxo-N-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-1,4-diazepane-1-carboxamide
CID 97083649
1-(1-methyl-2-oxo-3-pyridinyl)-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 97225811
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 124841179
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
N-[4-oxo-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)butyl]cyclopropanecarboxamide
CID 71919160
N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1H-pyrazole-5-carboxamide
CID 97051911
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058385
(2R)-2-(hydroxymethyl)-N-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyrrolidine-1-carboxamide
CID 97055283
(3S)-3-(hydroxymethyl)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]piperidine-1-carboxamide
CID 97225923

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea (CID 98850145) is 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea is O=C(NC[C@@H]1C[C@]12CCCc1ccccc12)N[C@H]1CCCNC1=O.
What is the InChIKey of 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is RGJZVPNRFRJZLW-URLQWDBASA-N. The full InChI is InChI=1S/C19H25N3O2/c23-17-16(8-4-10-20-17)22-18(24)21-12-14-11-19(14)9-3-6-13-5-1-2-7-15(13)19/h1-2,5,7,14,16H,3-4,6,8-12H2,(H,20,23)(H2,21,22,24)/t14-,16-,19+/m0/s1.
What are the key properties of 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea?
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea has a molecular weight of 327.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 98850145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).