morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone

C18H27N3O2 — CID 97352804

IUPACmorpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(CCCc2ccncc2)C1)N1CCOCC1
InChIInChI=1S/C18H27N3O2/c22-18(21-11-13-23-14-12-21)17-4-2-10-20(15-17)9-1-3-16-5-7-19-8-6-16/h5-8,17H,1-4,9-15H2/t17-/m0/s1
InChIKeyKLFSLJSHFURNBN-KRWDZBQOSA-N
MW317.43 g/mol
LogP1.59
Rot. Bonds5

About morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone

morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone (PubChem CID 97352804) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
PubChem CID97352804
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Namemorpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(CCCc2ccncc2)C1)N1CCOCC1
InChIInChI=1S/C18H27N3O2/c22-18(21-11-13-23-14-12-21)17-4-2-10-20(15-17)9-1-3-16-5-7-19-8-6-16/h5-8,17H,1-4,9-15H2/t17-/m0/s1
InChIKeyKLFSLJSHFURNBN-KRWDZBQOSA-N
XLogP1.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55501337
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
morpholin-4-yl-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 46770435
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163351854

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone (CID 97352804) is morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone is O=C([C@H]1CCCN(CCCc2ccncc2)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone?
The InChIKey is KLFSLJSHFURNBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(21-11-13-23-14-12-21)17-4-2-10-20(15-17)9-1-3-16-5-7-19-8-6-16/h5-8,17H,1-4,9-15H2/t17-/m0/s1.
What are the key properties of morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone?
morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 97352804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).