(4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide

C18H22N4O2 — CID 164630392

IUPAC(4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)N1CC[C@@]12CCOC2
InChIInChI=1S/C18H22N4O2/c23-17(22-10-6-18(22)7-11-24-14-18)19-12-15-2-4-16(5-3-15)13-21-9-1-8-20-21/h1-5,8-9H,6-7,10-14H2,(H,19,23)/t18-/m0/s1
InChIKeyFGGWCFMYZNEIGH-SFHVURJKSA-N
MW326.40 g/mol
LogP2.01
Rot. Bonds4

About (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide

(4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide (PubChem CID 164630392) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide
PubChem CID164630392
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)N1CC[C@@]12CCOC2
InChIInChI=1S/C18H22N4O2/c23-17(22-10-6-18(22)7-11-24-14-18)19-12-15-2-4-16(5-3-15)13-21-9-1-8-20-21/h1-5,8-9H,6-7,10-14H2,(H,19,23)/t18-/m0/s1
InChIKeyFGGWCFMYZNEIGH-SFHVURJKSA-N
XLogP2.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide (CID 164630392) is (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide is O=C(NCc1ccc(Cn2cccn2)cc1)N1CC[C@@]12CCOC2.
What is the InChIKey of (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is FGGWCFMYZNEIGH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(22-10-6-18(22)7-11-24-14-18)19-12-15-2-4-16(5-3-15)13-21-9-1-8-20-21/h1-5,8-9H,6-7,10-14H2,(H,19,23)/t18-/m0/s1.
What are the key properties of (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide?
(4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 164630392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).