N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

C18H30N6O2 — CID 52658202

IUPACN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1
InChIInChI=1S/C18H30N6O2/c1-3-7-19-17(25)13-23-8-10-24(11-9-23)18(26)21-15-5-4-6-16-14(15)12-20-22(16)2/h12,15H,3-11,13H2,1-2H3,(H,19,25)(H,21,26)/t15-/m0/s1
InChIKeyRAMQZUMHQWQRCS-HNNXBMFYSA-N
MW362.48 g/mol
LogP0.65
Rot. Bonds5

About N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide

N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (PubChem CID 52658202) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
PubChem CID52658202
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1
InChIInChI=1S/C18H30N6O2/c1-3-7-19-17(25)13-23-8-10-24(11-9-23)18(26)21-15-5-4-6-16-14(15)12-20-22(16)2/h12,15H,3-11,13H2,1-2H3,(H,19,25)(H,21,26)/t15-/m0/s1
InChIKeyRAMQZUMHQWQRCS-HNNXBMFYSA-N
XLogP0.65
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
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4-(3-chlorophenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide
CID 55809198
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3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
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CID 110470107
(1S,6S)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124855741
2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide (CID 52658202) is N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is CCCNC(=O)CN1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1.
What is the InChIKey of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is RAMQZUMHQWQRCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-3-7-19-17(25)13-23-8-10-24(11-9-23)18(26)21-15-5-4-6-16-14(15)12-20-22(16)2/h12,15H,3-11,13H2,1-2H3,(H,19,25)(H,21,26)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide?
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 52658202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).