(3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one

C22H28N2O3 — CID 46831869

IUPAC(3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one
SMILESO=C(c1ccc2c(c1)[C@]1(CCCCO1)C(=O)N2CC1CC1)N1CCCCC1
InChIInChI=1S/C22H28N2O3/c25-20(23-11-3-1-4-12-23)17-8-9-19-18(14-17)22(10-2-5-13-27-22)21(26)24(19)15-16-6-7-16/h8-9,14,16H,1-7,10-13,15H2/t22-/m1/s1
InChIKeySDSKZFYTQOJUGK-JOCHJYFZSA-N
MW368.48 g/mol
LogP3.47
Rot. Bonds3

About (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one

(3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one (PubChem CID 46831869) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one
PubChem CID46831869
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one
SMILESO=C(c1ccc2c(c1)[C@]1(CCCCO1)C(=O)N2CC1CC1)N1CCCCC1
InChIInChI=1S/C22H28N2O3/c25-20(23-11-3-1-4-12-23)17-8-9-19-18(14-17)22(10-2-5-13-27-22)21(26)24(19)15-16-6-7-16/h8-9,14,16H,1-7,10-13,15H2/t22-/m1/s1
InChIKeySDSKZFYTQOJUGK-JOCHJYFZSA-N
XLogP3.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one (CID 46831869) is (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one is O=C(c1ccc2c(c1)[C@]1(CCCCO1)C(=O)N2CC1CC1)N1CCCCC1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one?
The InChIKey is SDSKZFYTQOJUGK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-20(23-11-3-1-4-12-23)17-8-9-19-18(14-17)22(10-2-5-13-27-22)21(26)24(19)15-16-6-7-16/h8-9,14,16H,1-7,10-13,15H2/t22-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one?
(3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one has a molecular weight of 368.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-5-(piperidine-1-carbonyl)spiro[indole-3,2'-oxane]-2-one is sourced from PubChem (CID 46831869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).