morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone

C23H27N5O2 — CID 45249044

IUPACmorpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
SMILESO=C(c1cn(C2CCCN(Cc3cccc4ccccc34)C2)nn1)N1CCOCC1
InChIInChI=1S/C23H27N5O2/c29-23(27-11-13-30-14-12-27)22-17-28(25-24-22)20-8-4-10-26(16-20)15-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,17,20H,4,8,10-16H2
InChIKeyAUVNSNITAQZQDX-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.74
Rot. Bonds4

About morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone

morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone (PubChem CID 45249044) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
PubChem CID45249044
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Namemorpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
SMILESO=C(c1cn(C2CCCN(Cc3cccc4ccccc34)C2)nn1)N1CCOCC1
InChIInChI=1S/C23H27N5O2/c29-23(27-11-13-30-14-12-27)22-17-28(25-24-22)20-8-4-10-26(16-20)15-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,17,20H,4,8,10-16H2
InChIKeyAUVNSNITAQZQDX-UHFFFAOYSA-N
XLogP2.74
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42319702
[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone
CID 42500161
[1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45165944
piperidin-1-yl-[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45166683
[1-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45240301
piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45167027
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558
[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076
[1-[1-(3-phenylprop-2-enyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 74780580
N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
CID 25328000
morpholin-4-yl-(1-piperidin-3-yltriazol-4-yl)methanone
CID 102537912
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone (CID 45249044) is morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone is O=C(c1cn(C2CCCN(Cc3cccc4ccccc34)C2)nn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
The InChIKey is AUVNSNITAQZQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(27-11-13-30-14-12-27)22-17-28(25-24-22)20-8-4-10-26(16-20)15-19-7-3-6-18-5-1-2-9-21(18)19/h1-3,5-7,9,17,20H,4,8,10-16H2.
What are the key properties of morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone is sourced from PubChem (CID 45249044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).