1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one

C22H33N3O2 — CID 129279865

IUPAC1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C22H33N3O2/c26-22(25-13-15-27-16-14-25)7-4-10-24-11-8-19(9-12-24)23-21-17-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,23H,4,7-17H2/t20-,21+/m0/s1
InChIKeyMNBMPWLOVSVYLJ-LEWJYISDSA-N
MW371.53 g/mol
LogP2.24
Rot. Bonds7

About 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one

1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one (PubChem CID 129279865) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one
PubChem CID129279865
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C22H33N3O2/c26-22(25-13-15-27-16-14-25)7-4-10-24-11-8-19(9-12-24)23-21-17-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,23H,4,7-17H2/t20-,21+/m0/s1
InChIKeyMNBMPWLOVSVYLJ-LEWJYISDSA-N
XLogP2.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one (CID 129279865) is 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one is O=C(CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one?
The InChIKey is MNBMPWLOVSVYLJ-LEWJYISDSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(25-13-15-27-16-14-25)7-4-10-24-11-8-19(9-12-24)23-21-17-20(21)18-5-2-1-3-6-18/h1-3,5-6,19-21,23H,4,7-17H2/t20-,21+/m0/s1.
What are the key properties of 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one?
1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one has a molecular weight of 371.53 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 129279865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).