1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide

C22H26N4O2 — CID 165418044

IUPAC1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)CC2)cc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C22H26N4O2/c1-25-20-5-4-17(12-18(20)13-24-25)19-11-15(3-6-21(19)28-2)14-26-9-7-16(8-10-26)22(23)27/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,27)
InChIKeyLGIHVORDDQQSJZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.95
Rot. Bonds5

About 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide

1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 165418044) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID165418044
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(C(N)=O)CC2)cc1-c1ccc2c(cnn2C)c1
InChIInChI=1S/C22H26N4O2/c1-25-20-5-4-17(12-18(20)13-24-25)19-11-15(3-6-21(19)28-2)14-26-9-7-16(8-10-26)22(23)27/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,27)
InChIKeyLGIHVORDDQQSJZ-UHFFFAOYSA-N
XLogP2.95
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-methylindazol-5-yl)benzoyl]piperidine-4-carboxamide
CID 121497364
1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 167870571
3-[4-cycloheptyloxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid
CID 22559270
1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 5140911
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-methyl-5-[(4-methylpiperazin-1-yl)methyl]indazole
CID 145145756
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-one
CID 83980733
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
CID 118058043

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide (CID 165418044) is 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide is COc1ccc(CN2CCC(C(N)=O)CC2)cc1-c1ccc2c(cnn2C)c1.
What is the InChIKey of 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is LGIHVORDDQQSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-20-5-4-17(12-18(20)13-24-25)19-11-15(3-6-21(19)28-2)14-26-9-7-16(8-10-26)22(23)27/h3-6,11-13,16H,7-10,14H2,1-2H3,(H2,23,27).
What are the key properties of 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide?
1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(1-methylindazol-5-yl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 165418044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).