N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide

C27H32ClN5O — CID 139801464

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
SMILESCn1nc2c(c1N(CCN1CCN(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc1)CCCC2
InChIInChI=1S/C27H32ClN5O/c1-30-26(24-9-5-6-10-25(24)29-30)33(27(34)21-7-3-2-4-8-21)20-17-31-15-18-32(19-16-31)23-13-11-22(28)12-14-23/h2-4,7-8,11-14H,5-6,9-10,15-20H2,1H3
InChIKeyQWPHEPADURJWKA-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.42
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide (PubChem CID 139801464) has the molecular formula C27H32ClN5O and a molecular weight of 478.04 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
PubChem CID139801464
Molecular FormulaC27H32ClN5O
Molecular Weight478.04 g/mol
Exact Mass477.23
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
SMILESCn1nc2c(c1N(CCN1CCN(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc1)CCCC2
InChIInChI=1S/C27H32ClN5O/c1-30-26(24-9-5-6-10-25(24)29-30)33(27(34)21-7-3-2-4-8-21)20-17-31-15-18-32(19-16-31)23-13-11-22(28)12-14-23/h2-4,7-8,11-14H,5-6,9-10,15-20H2,1H3
InChIKeyQWPHEPADURJWKA-UHFFFAOYSA-N
XLogP4.42
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801679
N-[2-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-4-nitrobenzamide
CID 139801627
4-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-(2-phenyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801400
4-amino-N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801670
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)benzamide
CID 139801442
4-amino-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 139801395
N-[2-[4-(2,3-dimethoxybenzoyl)piperidin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801493
N-[3-(4-benzoylpiperidin-1-yl)propyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-4-nitrobenzamide
CID 139801423
4-amino-N-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)benzamide
CID 139801458
N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 139801461
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
4-amino-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-N-(5,6,7,8-tetrahydroquinazolin-4-yl)benzamide
CID 139801446

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide (CID 139801464) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide is Cn1nc2c(c1N(CCN1CCN(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc1)CCCC2.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide?
The InChIKey is QWPHEPADURJWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O/c1-30-26(24-9-5-6-10-25(24)29-30)33(27(34)21-7-3-2-4-8-21)20-17-31-15-18-32(19-16-31)23-13-11-22(28)12-14-23/h2-4,7-8,11-14H,5-6,9-10,15-20H2,1H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide has a molecular weight of 478.04 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide is sourced from PubChem (CID 139801464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).