(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane

C16H25N3O — CID 97371169

IUPAC(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cc([C@@H]2COC3(CCN(CC4CC4)CC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-18-11-15(9-17-18)14-8-16(20-12-14)4-6-19(7-5-16)10-13-2-3-13/h9,11,13-14H,2-8,10,12H2,1H3/t14-/m0/s1
InChIKeyQVPZWGPJBMEZTG-AWEZNQCLSA-N
MW275.40 g/mol
LogP2.17
Rot. Bonds3

About (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane

(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97371169) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97371169
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cc([C@@H]2COC3(CCN(CC4CC4)CC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-18-11-15(9-17-18)14-8-16(20-12-14)4-6-19(7-5-16)10-13-2-3-13/h9,11,13-14H,2-8,10,12H2,1H3/t14-/m0/s1
InChIKeyQVPZWGPJBMEZTG-AWEZNQCLSA-N
XLogP2.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(1-methylpyrazol-4-yl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97371170
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746332
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane
CID 124520492
9-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471486
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 118740910
7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155835616
4-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methylpyrazole
CID 91240817
furan-3-yl-[3-(1-methylpyrazol-4-yl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 134074970
(3S)-3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450663
3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 131641032
(3R)-8-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371263
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744890

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane (CID 97371169) is (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane is Cn1cc([C@@H]2COC3(CCN(CC4CC4)CC3)C2)cn1.
What is the InChIKey of (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QVPZWGPJBMEZTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-11-15(9-17-18)14-8-16(20-12-14)4-6-19(7-5-16)10-13-2-3-13/h9,11,13-14H,2-8,10,12H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(cyclopropylmethyl)-3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97371169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).