piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone

C23H33N5O4 — CID 45167255

IUPACpiperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
SMILESCOc1cc(OC)c(OC)cc1CN1CCCC(n2cc(C(=O)N3CCCCC3)nn2)C1
InChIInChI=1S/C23H33N5O4/c1-30-20-13-22(32-3)21(31-2)12-17(20)14-26-9-7-8-18(15-26)28-16-19(24-25-28)23(29)27-10-5-4-6-11-27/h12-13,16,18H,4-11,14-15H2,1-3H3
InChIKeyYWOVTWYLSBKMDX-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.77
Rot. Bonds7

About piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone

piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone (PubChem CID 45167255) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
PubChem CID45167255
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC Namepiperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
SMILESCOc1cc(OC)c(OC)cc1CN1CCCC(n2cc(C(=O)N3CCCCC3)nn2)C1
InChIInChI=1S/C23H33N5O4/c1-30-20-13-22(32-3)21(31-2)12-17(20)14-26-9-7-8-18(15-26)28-16-19(24-25-28)23(29)27-10-5-4-6-11-27/h12-13,16,18H,4-11,14-15H2,1-3H3
InChIKeyYWOVTWYLSBKMDX-UHFFFAOYSA-N
XLogP2.77
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 86765175
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(2-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643609
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643610
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-[(2-methoxyphenyl)methyl]triazole-4-carboxamide
CID 90643619
[1-[1-[(3,5-Dimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45167502
N,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 4803554
Piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]methanone
CID 42398062
Piperidin-1-yl-[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45166683
N-cyclopentyl-1-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45167294
Piperidin-1-yl-[1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45167385
[1-[1-[(2,4-Dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42321403
[1-[1-[(2-Methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42322134

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone (CID 45167255) is piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone is COc1cc(OC)c(OC)cc1CN1CCCC(n2cc(C(=O)N3CCCCC3)nn2)C1.
What is the InChIKey of piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone?
The InChIKey is YWOVTWYLSBKMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-30-20-13-22(32-3)21(31-2)12-17(20)14-26-9-7-8-18(15-26)28-16-19(24-25-28)23(29)27-10-5-4-6-11-27/h12-13,16,18H,4-11,14-15H2,1-3H3.
What are the key properties of piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone?
piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone has a molecular weight of 443.55 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone is sourced from PubChem (CID 45167255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).