[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C23H29N3O2 — CID 155915049

IUPAC[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)[C@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H29N3O2/c1-17(2)20-15-26(16-21(28-20)18-9-4-3-5-10-18)22-19(11-8-12-24-22)23(27)25-13-6-7-14-25/h3-5,8-12,17,20-21H,6-7,13-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyNGYQKMXQNNRDML-RTWAWAEBSA-N
MW379.50 g/mol
LogP3.92
Rot. Bonds4

About [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 155915049) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID155915049
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)[C@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H29N3O2/c1-17(2)20-15-26(16-21(28-20)18-9-4-3-5-10-18)22-19(11-8-12-24-22)23(27)25-13-6-7-14-25/h3-5,8-12,17,20-21H,6-7,13-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyNGYQKMXQNNRDML-RTWAWAEBSA-N
XLogP3.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133379329
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503
piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone
CID 56865869
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 86283173
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72918907
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 155915049) is [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CC(C)[C@H]1CN(c2ncccc2C(=O)N2CCCC2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NGYQKMXQNNRDML-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)20-15-26(16-21(28-20)18-9-4-3-5-10-18)22-19(11-8-12-24-22)23(27)25-13-6-7-14-25/h3-5,8-12,17,20-21H,6-7,13-16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155915049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).