1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one

C23H35N3O2 — CID 129279644

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C23H35N3O2/c1-17-15-26(16-18(2)28-17)23(27)10-13-25-11-8-20(9-12-25)24-22-14-21(22)19-6-4-3-5-7-19/h3-7,17-18,20-22,24H,8-16H2,1-2H3/t17-,18+,21-,22+/m0/s1
InChIKeyUZDXMBBAQSXUMM-GKJHBJHPSA-N
MW385.55 g/mol
LogP2.62
Rot. Bonds6

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 129279644) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
PubChem CID129279644
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C23H35N3O2/c1-17-15-26(16-18(2)28-17)23(27)10-13-25-11-8-20(9-12-25)24-22-14-21(22)19-6-4-3-5-7-19/h3-7,17-18,20-22,24H,8-16H2,1-2H3/t17-,18+,21-,22+/m0/s1
InChIKeyUZDXMBBAQSXUMM-GKJHBJHPSA-N
XLogP2.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one (CID 129279644) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one is C[C@@H]1CN(C(=O)CCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is UZDXMBBAQSXUMM-GKJHBJHPSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-15-26(16-18(2)28-17)23(27)10-13-25-11-8-20(9-12-25)24-22-14-21(22)19-6-4-3-5-7-19/h3-7,17-18,20-22,24H,8-16H2,1-2H3/t17-,18+,21-,22+/m0/s1.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 385.55 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129279644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).