1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one

C19H35N3O2 — CID 124689756

IUPAC1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCC2CCNCC2)C[C@@H](C)O1
InChIInChI=1S/C19H35N3O2/c1-15-12-21(13-16(2)24-15)14-18-4-3-11-22(18)19(23)6-5-17-7-9-20-10-8-17/h15-18,20H,3-14H2,1-2H3/t15-,16-,18+/m1/s1
InChIKeyBHHPAWUVLGQHMC-NUJGCVRESA-N
MW337.51 g/mol
LogP1.87
Rot. Bonds5

About 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one

1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one (PubChem CID 124689756) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
PubChem CID124689756
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
SMILESC[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCC2CCNCC2)C[C@@H](C)O1
InChIInChI=1S/C19H35N3O2/c1-15-12-21(13-16(2)24-15)14-18-4-3-11-22(18)19(23)6-5-17-7-9-20-10-8-17/h15-18,20H,3-14H2,1-2H3/t15-,16-,18+/m1/s1
InChIKeyBHHPAWUVLGQHMC-NUJGCVRESA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-amino-1-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692187
3-amino-1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692182
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
3-amino-1-[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 124696004
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 55049095
1-[(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 98775921
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124698009
2-(3,4-dimethoxyphenyl)-1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 51126545

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one (CID 124689756) is 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one is C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCC2CCNCC2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one?
The InChIKey is BHHPAWUVLGQHMC-NUJGCVRESA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15-12-21(13-16(2)24-15)14-18-4-3-11-22(18)19(23)6-5-17-7-9-20-10-8-17/h15-18,20H,3-14H2,1-2H3/t15-,16-,18+/m1/s1.
What are the key properties of 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one?
1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one has a molecular weight of 337.51 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 124689756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).