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

C21H33N5O3 — CID 45239597

IUPACN-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C21H33N5O3/c1-24(15-19-17-4-2-3-5-18(17)22-23-19)21(28)16-6-7-20(27)26(14-16)9-8-25-10-12-29-13-11-25/h16H,2-15H2,1H3,(H,22,23)
InChIKeyZOFSKAQESOJIOD-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.82
Rot. Bonds6

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

N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 45239597) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID45239597
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC NameN-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C21H33N5O3/c1-24(15-19-17-4-2-3-5-18(17)22-23-19)21(28)16-6-7-20(27)26(14-16)9-8-25-10-12-29-13-11-25/h16H,2-15H2,1H3,(H,22,23)
InChIKeyZOFSKAQESOJIOD-UHFFFAOYSA-N
XLogP0.82
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

Morpholin-4-yl-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 97461861
1-[3-(Morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
3-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 70779618
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
4-(3-{1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-3-piperidinyl}propanoyl)morpholine
CID 45211316
Sdccgsbi-0114447.P001
CID 45229566
N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 138036004
4-[[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-3-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 154889854
3-(cyclohexylmethyl)-5-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 31074526
N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 45183709
1-(2-methoxyethyl)-N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-3-piperidinecarboxamide
CID 45200150
1-cyclopentyl-5-[(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)carbonyl]piperidin-2-one
CID 45231871

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide (CID 45239597) is N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ZOFSKAQESOJIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-24(15-19-17-4-2-3-5-18(17)22-23-19)21(28)16-6-7-20(27)26(14-16)9-8-25-10-12-29-13-11-25/h16H,2-15H2,1H3,(H,22,23).
What are the key properties of N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide?
N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-morpholin-4-ylethyl)-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45239597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).