(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

C22H30N2O3 — CID 97129129

IUPAC(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCOc1ccccc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C22H30N2O3/c1-2-14-27-19-7-4-3-6-18(19)20(25)24-13-11-22(16-24)10-5-12-23(21(22)26)15-17-8-9-17/h3-4,6-7,17H,2,5,8-16H2,1H3/t22-/m1/s1
InChIKeyYFAJLORMFBDIEL-JOCHJYFZSA-N
MW370.49 g/mol
LogP3.34
Rot. Bonds6

About (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97129129) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97129129
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCOc1ccccc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C22H30N2O3/c1-2-14-27-19-7-4-3-6-18(19)20(25)24-13-11-22(16-24)10-5-12-23(21(22)26)15-17-8-9-17/h3-4,6-7,17H,2,5,8-16H2,1H3/t22-/m1/s1
InChIKeyYFAJLORMFBDIEL-JOCHJYFZSA-N
XLogP3.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72882284
(5R)-7-(cyclopropylmethyl)-2-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25311849
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
7-(cyclopropylmethyl)-2-(2-methoxypyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45237711
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140685
7-(cyclopropylmethyl)-2-(5-propyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883794
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234
(5R)-2-(3-acetylbenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97148069
(5R)-7-(cyclobutylmethyl)-2-(1-methyl-6-oxopyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97122026
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
7-(cyclopropylmethyl)-2-(1-ethyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72902847

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97129129) is (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one is CCCOc1ccccc1C(=O)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YFAJLORMFBDIEL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-2-14-27-19-7-4-3-6-18(19)20(25)24-13-11-22(16-24)10-5-12-23(21(22)26)15-17-8-9-17/h3-4,6-7,17H,2,5,8-16H2,1H3/t22-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 370.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97129129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).