1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one

C20H28N6O2 — CID 72868778

IUPAC1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)N1CCOCC1
InChIInChI=1S/C20H28N6O2/c27-19(26-10-12-28-13-11-26)8-5-16-2-1-9-25(14-16)15-17-3-6-18(7-4-17)20-21-23-24-22-20/h3-4,6-7,16H,1-2,5,8-15H2,(H,21,22,23,24)
InChIKeyABGCMUZUICEXKR-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.72
Rot. Bonds6

About 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one

1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one (PubChem CID 72868778) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one
PubChem CID72868778
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)N1CCOCC1
InChIInChI=1S/C20H28N6O2/c27-19(26-10-12-28-13-11-26)8-5-16-2-1-9-25(14-16)15-17-3-6-18(7-4-17)20-21-23-24-22-20/h3-4,6-7,16H,1-2,5,8-15H2,(H,21,22,23,24)
InChIKeyABGCMUZUICEXKR-UHFFFAOYSA-N
XLogP1.72
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

3-[(3R)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 42415670
3-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45192917
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
3-[(3R)-1-[(2-chloro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26401954
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-2-one
CID 83982730
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 56715718
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
[(1S,2S)-2-methylcyclopropyl]-[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 166314413
4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one (CID 72868778) is 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one is O=C(CCC1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one?
The InChIKey is ABGCMUZUICEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-19(26-10-12-28-13-11-26)8-5-16-2-1-9-25(14-16)15-17-3-6-18(7-4-17)20-21-23-24-22-20/h3-4,6-7,16H,1-2,5,8-15H2,(H,21,22,23,24).
What are the key properties of 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one?
1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 72868778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).