3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide

C27H39N7O2 — CID 145166476

IUPAC3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(c2ncc(ONN)c3[nH]c4ccc(C5CCN(C(C)C)CC5)cc4c23)C1
InChIInChI=1S/C27H39N7O2/c1-4-27(26(28)35)10-5-11-34(16-27)25-23-20-14-19(18-8-12-33(13-9-18)17(2)3)6-7-21(20)31-24(23)22(15-30-25)36-32-29/h6-7,14-15,17-18,31-32H,4-5,8-13,16,29H2,1-3H3,(H2,28,35)
InChIKeyLVSNBFDURYNFFV-UHFFFAOYSA-N
MW493.66 g/mol
LogP3.54
Rot. Bonds7

About 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide

3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide (PubChem CID 145166476) has the molecular formula C27H39N7O2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide
PubChem CID145166476
Molecular FormulaC27H39N7O2
Molecular Weight493.66 g/mol
Exact Mass493.32
IUPAC Name3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(c2ncc(ONN)c3[nH]c4ccc(C5CCN(C(C)C)CC5)cc4c23)C1
InChIInChI=1S/C27H39N7O2/c1-4-27(26(28)35)10-5-11-34(16-27)25-23-20-14-19(18-8-12-33(13-9-18)17(2)3)6-7-21(20)31-24(23)22(15-30-25)36-32-29/h6-7,14-15,17-18,31-32H,4-5,8-13,16,29H2,1-3H3,(H2,28,35)
InChIKeyLVSNBFDURYNFFV-UHFFFAOYSA-N
XLogP3.54
TPSA125.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608574
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608572
8-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608581
8-(1-methylpiperidin-4-yl)-1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde
CID 146583110
1-(2,7-diazaspiro[4.5]decan-7-yl)-7-[1-(methylcarbamoyl)piperidin-4-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134534066
8-fluoro-1-[(6S)-2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 134520750
8-fluoro-1-[2-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122608568
1-[3-formyl-3-[1-hydroxy-2-(methylamino)ethyl]piperidin-1-yl]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 145168143
acetaldehyde;1-[3-formyl-3-[2-(methylamino)ethyl]piperidin-1-yl]-7-(1-methylpiperidin-4-yl)-5H-pyrido[4,3-b]indole-4-carbaldehyde;methanamine
CID 145168146
1-(1-oxo-2,9-diazaspiro[4.5]decan-9-yl)-7-piperidin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 122604763
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide (CID 145166476) is 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide is CCC1(C(N)=O)CCCN(c2ncc(ONN)c3[nH]c4ccc(C5CCN(C(C)C)CC5)cc4c23)C1.
What is the InChIKey of 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide?
The InChIKey is LVSNBFDURYNFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O2/c1-4-27(26(28)35)10-5-11-34(16-27)25-23-20-14-19(18-8-12-33(13-9-18)17(2)3)6-7-21(20)31-24(23)22(15-30-25)36-32-29/h6-7,14-15,17-18,31-32H,4-5,8-13,16,29H2,1-3H3,(H2,28,35).
What are the key properties of 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide?
3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide has a molecular weight of 493.66 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[4-hydrazinyloxy-8-(1-propan-2-ylpiperidin-4-yl)-5H-pyrido[4,3-b]indol-1-yl]piperidine-3-carboxamide is sourced from PubChem (CID 145166476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).