(5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C19H25N3O3 — CID 125141813

IUPAC(5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2cccc3[nH]ccc23)C[C@@]2(CCOC2)O1
InChIInChI=1S/C19H25N3O3/c1-14-11-22(12-19(25-14)7-10-24-13-19)18(23)21-8-5-15-3-2-4-17-16(15)6-9-20-17/h2-4,6,9,14,20H,5,7-8,10-13H2,1H3,(H,21,23)/t14-,19-/m1/s1
InChIKeyCYSKTJCGYPAZLQ-AUUYWEPGSA-N
MW343.43 g/mol
LogP2.30
Rot. Bonds3

About (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

(5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 125141813) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID125141813
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2cccc3[nH]ccc23)C[C@@]2(CCOC2)O1
InChIInChI=1S/C19H25N3O3/c1-14-11-22(12-19(25-14)7-10-24-13-19)18(23)21-8-5-15-3-2-4-17-16(15)6-9-20-17/h2-4,6,9,14,20H,5,7-8,10-13H2,1H3,(H,21,23)/t14-,19-/m1/s1
InChIKeyCYSKTJCGYPAZLQ-AUUYWEPGSA-N
XLogP2.30
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,7S)-7-methyl-N-pyridazin-3-yl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124741114
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
N-[[7-(1H-indol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155832241
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48713605
3-amino-N-[2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 64893613
(5S,7R)-N-(1-tert-butylpyrazol-4-yl)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 124890276
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 125141813) is (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@@H]1CN(C(=O)NCCc2cccc3[nH]ccc23)C[C@@]2(CCOC2)O1.
What is the InChIKey of (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is CYSKTJCGYPAZLQ-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-11-22(12-19(25-14)7-10-24-13-19)18(23)21-8-5-15-3-2-4-17-16(15)6-9-20-17/h2-4,6,9,14,20H,5,7-8,10-13H2,1H3,(H,21,23)/t14-,19-/m1/s1.
What are the key properties of (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
(5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-N-[2-(1H-indol-4-yl)ethyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 125141813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).