N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide

C23H27N5O2 — CID 26347462

IUPACN-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCOc1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c2ccccc12
InChIInChI=1S/C23H27N5O2/c1-30-22-9-6-16(19-4-2-3-5-20(19)22)14-27-12-10-18(11-13-27)28-15-21(25-26-28)23(29)24-17-7-8-17/h2-6,9,15,17-18H,7-8,10-14H2,1H3,(H,24,29)
InChIKeyUFLHTZPEKRNJHG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.17
Rot. Bonds6

About N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide

N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26347462) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID26347462
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCOc1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c2ccccc12
InChIInChI=1S/C23H27N5O2/c1-30-22-9-6-16(19-4-2-3-5-20(19)22)14-27-12-10-18(11-13-27)28-15-21(25-26-28)23(29)24-17-7-8-17/h2-6,9,15,17-18H,7-8,10-14H2,1H3,(H,24,29)
InChIKeyUFLHTZPEKRNJHG-UHFFFAOYSA-N
XLogP3.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45252092
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42238606
N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42419244
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
N-cyclopentyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 118756520
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907
N-cyclopropyl-3-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]propanamide
CID 45180081
1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42382756
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 26347462) is N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide is COc1ccc(CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c2ccccc12.
What is the InChIKey of N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is UFLHTZPEKRNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-22-9-6-16(19-4-2-3-5-20(19)22)14-27-12-10-18(11-13-27)28-15-21(25-26-28)23(29)24-17-7-8-17/h2-6,9,15,17-18H,7-8,10-14H2,1H3,(H,24,29).
What are the key properties of N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26347462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).