N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C22H29N5O2 — CID 110625528

IUPACN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2c1CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-16(23-21(28)20-18-9-5-6-10-19(18)24-25-20)22(29)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,23,28)(H,24,25)
InChIKeyAPFOYDNKTWAMHJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.75
Rot. Bonds5

About N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110625528) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110625528
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2c1CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5O2/c1-16(23-21(28)20-18-9-5-6-10-19(18)24-25-20)22(29)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,23,28)(H,24,25)
InChIKeyAPFOYDNKTWAMHJ-UHFFFAOYSA-N
XLogP1.75
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
N-[(2S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 31279747
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55495610
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 126804835
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 134035755

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110625528) is N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2c1CCCC2)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is APFOYDNKTWAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(23-21(28)20-18-9-5-6-10-19(18)24-25-20)22(29)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-15H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110625528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).