N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide

C17H27N5O2 — CID 97223994

IUPACN,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C17H27N5O2/c1-3-20(4-2)17(24)22-10-8-21(9-11-22)16(23)13-6-5-7-15-14(13)12-18-19-15/h12-13H,3-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyJMHIGSUYJWHVFO-ZDUSSCGKSA-N
MW333.44 g/mol
LogP1.44
Rot. Bonds3

About N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide

N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide (PubChem CID 97223994) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
PubChem CID97223994
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1
InChIInChI=1S/C17H27N5O2/c1-3-20(4-2)17(24)22-10-8-21(9-11-22)16(23)13-6-5-7-15-14(13)12-18-19-15/h12-13H,3-11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyJMHIGSUYJWHVFO-ZDUSSCGKSA-N
XLogP1.44
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide (CID 97223994) is N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1.
What is the InChIKey of N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is JMHIGSUYJWHVFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-20(4-2)17(24)22-10-8-21(9-11-22)16(23)13-6-5-7-15-14(13)12-18-19-15/h12-13H,3-11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide?
N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 97223994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).