(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

C19H30N2O3 — CID 98897609

IUPAC(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(C1CCOCC1)N1CCC[C@]2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C19H30N2O3/c22-17(16-4-12-24-13-5-16)20-9-1-6-19(7-10-20)8-11-21(18(19)23)14-15-2-3-15/h15-16H,1-14H2/t19-/m0/s1
InChIKeyPFGDHBZRFBXPMB-IBGZPJMESA-N
MW334.46 g/mol
LogP2.05
Rot. Bonds3

About (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one

(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (PubChem CID 98897609) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.

Molecular Properties

Compound Name(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
PubChem CID98897609
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
SMILESO=C(C1CCOCC1)N1CCC[C@]2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C19H30N2O3/c22-17(16-4-12-24-13-5-16)20-9-1-6-19(7-10-20)8-11-21(18(19)23)14-15-2-3-15/h15-16H,1-14H2/t19-/m0/s1
InChIKeyPFGDHBZRFBXPMB-IBGZPJMESA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-(cyclopent-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897572
9-(2-methylcyclopropanecarbonyl)-2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131650241
(5S)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895110
(5R)-7-(2,2-dimethylpropyl)-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25384072
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(5R)-N-cyclopropyl-2-(cyclopropylmethyl)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 97490032
2-(cyclopropylmethyl)-8-(oxolane-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155872829
2-(oxan-4-ylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897114
N-[2-[2-(cyclobutylmethyl)-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
CID 98897256
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
9-[(3S)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895826

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The IUPAC name of (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one (CID 98897609) is (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one.
What is the SMILES notation for (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The canonical SMILES for (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is O=C(C1CCOCC1)N1CCC[C@]2(CC1)CCN(CC1CC1)C2=O.
What is the InChIKey of (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
The InChIKey is PFGDHBZRFBXPMB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2O3/c22-17(16-4-12-24-13-5-16)20-9-1-6-19(7-10-20)8-11-21(18(19)23)14-15-2-3-15/h15-16H,1-14H2/t19-/m0/s1.
What are the key properties of (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one?
(5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one has a molecular weight of 334.46 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(cyclopropylmethyl)-9-(oxane-4-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one is sourced from PubChem (CID 98897609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).