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

C21H31N3O2 — CID 129279763

IUPAC1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H31N3O2/c1-16(21(25)24-11-13-26-14-12-24)23-9-7-18(8-10-23)22-20-15-19(20)17-5-3-2-4-6-17/h2-6,16,18-20,22H,7-15H2,1H3/t16?,19-,20+/m0/s1
InChIKeyZEBFHUSPYBVICS-KHMGXFTDSA-N
MW357.50 g/mol
LogP1.84
Rot. Bonds5

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

1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one (PubChem CID 129279763) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
PubChem CID129279763
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C21H31N3O2/c1-16(21(25)24-11-13-26-14-12-24)23-9-7-18(8-10-23)22-20-15-19(20)17-5-3-2-4-6-17/h2-6,16,18-20,22H,7-15H2,1H3/t16?,19-,20+/m0/s1
InChIKeyZEBFHUSPYBVICS-KHMGXFTDSA-N
XLogP1.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2R)-N-[(2R)-6-amino-1-morpholin-4-yl-1-oxohexan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetyl]amino]propanoyl]amino]pentanamide
CID 138520730
(4R,5R)-5-amino-1-[2-(morpholin-4-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203034
PhPr-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162660473
PhEt-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162663182
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
1-Butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 16007141
(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(morpholinomethyl)piperazin-2-one
CID 25056005
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-phenylcyclopropyl]amino]ethanone
CID 67379019
(3S,6S)-3-isobutyl-4-((1R,2R)-2-phenylcyclopropanecarbonyl)-6-propylpiperazin-2-one
CID 68158563
(3S,6S)-3,6-diisobutyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
CID 68158619
(2R)-N-[(2R)-6-amino-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 53379630
2-Morpholin-4-yl-2-oxo-N-(1-phenyl-cyclopentylmethyl)-acetamide
CID 2296431

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one (CID 129279763) is 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one is CC(C(=O)N1CCOCC1)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is ZEBFHUSPYBVICS-KHMGXFTDSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(21(25)24-11-13-26-14-12-24)23-9-7-18(8-10-23)22-20-15-19(20)17-5-3-2-4-6-17/h2-6,16,18-20,22H,7-15H2,1H3/t16?,19-,20+/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one?
1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 357.50 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129279763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).