(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

C15H25N3O2 — CID 124866301

IUPAC(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESO=C(NCCN1CCOCC1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21
InChIInChI=1S/C15H25N3O2/c19-15(16-3-4-17-5-7-20-8-6-17)18-10-13-11-1-2-12(9-11)14(13)18/h11-14H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m0/s1
InChIKeyRGMFRPBHNMHHNZ-FQUUOJAGSA-N
MW279.38 g/mol
LogP0.76
Rot. Bonds3

About (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide

(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (PubChem CID 124866301) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
PubChem CID124866301
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide
SMILESO=C(NCCN1CCOCC1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21
InChIInChI=1S/C15H25N3O2/c19-15(16-3-4-17-5-7-20-8-6-17)18-10-13-11-1-2-12(9-11)14(13)18/h11-14H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m0/s1
InChIKeyRGMFRPBHNMHHNZ-FQUUOJAGSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999377
(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555627
N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 71887228
(3R)-1-(2-morpholin-4-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120691
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108993688
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134346993

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The IUPAC name of (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide (CID 124866301) is (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide.
What is the SMILES notation for (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The canonical SMILES for (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is O=C(NCCN1CCOCC1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21.
What is the InChIKey of (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
The InChIKey is RGMFRPBHNMHHNZ-FQUUOJAGSA-N. The full InChI is InChI=1S/C15H25N3O2/c19-15(16-3-4-17-5-7-20-8-6-17)18-10-13-11-1-2-12(9-11)14(13)18/h11-14H,1-10H2,(H,16,19)/t11-,12-,13+,14-/m0/s1.
What are the key properties of (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide?
(1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6S)-N-(2-morpholin-4-ylethyl)-3-azatricyclo[4.2.1.02,5]nonane-3-carboxamide is sourced from PubChem (CID 124866301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).