N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

C21H26N4OS — CID 126801368

IUPACN-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(Cc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C21H26N4OS/c1-2-9-25(21(26)20-4-3-12-27-20)18-7-10-24(11-8-18)15-16-5-6-17-14-22-23-19(17)13-16/h3-6,12-14,18H,2,7-11,15H2,1H3,(H,22,23)
InChIKeyBELMEMMDBDPKII-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.14
Rot. Bonds6

About N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (PubChem CID 126801368) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
PubChem CID126801368
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(Cc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C21H26N4OS/c1-2-9-25(21(26)20-4-3-12-27-20)18-7-10-24(11-8-18)15-16-5-6-17-14-22-23-19(17)13-16/h3-6,12-14,18H,2,7-11,15H2,1H3,(H,22,23)
InChIKeyBELMEMMDBDPKII-UHFFFAOYSA-N
XLogP4.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 120854150
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 136519416
N-piperidin-3-yl-N-propyl-1H-indazole-6-carboxamide
CID 62921435
N-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 124626949
N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 137265056
ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
CID 124568084
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
CID 99640635
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133421368
N-cyclopentyl-N-ethyl-1H-indazole-6-carboxamide
CID 62905257
N-[[4-(1H-indazol-6-ylmethyl)morpholin-2-yl]methyl]acetamide
CID 126777380
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133386277

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (CID 126801368) is N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is BELMEMMDBDPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-2-9-25(21(26)20-4-3-12-27-20)18-7-10-24(11-8-18)15-16-5-6-17-14-22-23-19(17)13-16/h3-6,12-14,18H,2,7-11,15H2,1H3,(H,22,23).
What are the key properties of N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 126801368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).