N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H33N5O — CID 45162379

IUPACN,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CC(NCCN1CCC(c3ccccc3)CC1)CC2
InChIInChI=1S/C23H33N5O/c1-24-23(29)22-20-16-19(8-9-21(20)27(2)26-22)25-12-15-28-13-10-18(11-14-28)17-6-4-3-5-7-17/h3-7,18-19,25H,8-16H2,1-2H3,(H,24,29)
InChIKeyYBFQBEHKVVUIMM-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.11
Rot. Bonds6

About N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45162379) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45162379
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CC(NCCN1CCC(c3ccccc3)CC1)CC2
InChIInChI=1S/C23H33N5O/c1-24-23(29)22-20-16-19(8-9-21(20)27(2)26-22)25-12-15-28-13-10-18(11-14-28)17-6-4-3-5-7-17/h3-7,18-19,25H,8-16H2,1-2H3,(H,24,29)
InChIKeyYBFQBEHKVVUIMM-UHFFFAOYSA-N
XLogP2.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N,N-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161005
5-(2-acetamidoethylamino)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160583
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
N-benzyl-N,1-dimethyl-5-(3-morpholin-4-ylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163436
N-benzyl-5-[2-(dimethylamino)ethylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159102
N-methyl-5-(2-methylpropylamino)-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160989
(5S)-N-benzyl-5-[2-(diethylamino)ethylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 51633358
1-methyl-N-(2-phenylethyl)-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165012
(5S)-N-benzyl-5-(3-ethoxypropylamino)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26143065
[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163549
(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26227330

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45162379) is N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(C)c2c1CC(NCCN1CCC(c3ccccc3)CC1)CC2.
What is the InChIKey of N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is YBFQBEHKVVUIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-24-23(29)22-20-16-19(8-9-21(20)27(2)26-22)25-12-15-28-13-10-18(11-14-28)17-6-4-3-5-7-17/h3-7,18-19,25H,8-16H2,1-2H3,(H,24,29).
What are the key properties of N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45162379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).