(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide

C18H28N4O3 — CID 30956985

IUPAC(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-21(12-16-14-5-3-4-6-15(14)19-20-16)18(24)13-7-8-17(23)22(11-13)9-10-25-2/h13H,3-12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyNYFQKSXCWSJJSU-ZDUSSCGKSA-N
MW348.45 g/mol
LogP1.13
Rot. Bonds6

About (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide

(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 30956985) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID30956985
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O
InChIInChI=1S/C18H28N4O3/c1-21(12-16-14-5-3-4-6-15(14)19-20-16)18(24)13-7-8-17(23)22(11-13)9-10-25-2/h13H,3-12H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyNYFQKSXCWSJJSU-ZDUSSCGKSA-N
XLogP1.13
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 75384386
1-[3-(Morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
3-{3-[(1S*,5R*)-3-acetyl-3,6-diazabicyclo[3.2.2]non-6-yl]-3-oxopropyl}-4,5,6,7-tetrahydro-1H-indazole
CID 133125682
(1S*,5R*)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133138145
[4-(2-methoxyethyl)piperidino](4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53150910
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 91925206
(1S,5R)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70721138
1-[(1S,5R)-3-acetyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 72910578
(2S)-1-(3-cyclopropyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-ethoxypropan-1-one
CID 126440091
5-{2-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-3-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 129624002

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide (CID 30956985) is (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide is COCCN1C[C@@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)CCC1=O.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NYFQKSXCWSJJSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21(12-16-14-5-3-4-6-15(14)19-20-16)18(24)13-7-8-17(23)22(11-13)9-10-25-2/h13H,3-12H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 30956985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).