N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide

C31H29N5O2 — CID 58899819

IUPACN-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCN(c1ccncc1)c1ccc(C(=O)N2CCN(C(=O)NC3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C31H29N5O2/c1-34(24-14-16-32-17-15-24)23-12-10-22(11-13-23)30(37)35-18-20-36(21-19-35)31(38)33-29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-17,29H,18-21H2,1H3,(H,33,38)
InChIKeyBRGBJDFDEBFJBN-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.09
Rot. Bonds4

About N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide

N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (PubChem CID 58899819) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
PubChem CID58899819
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC NameN-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCN(c1ccncc1)c1ccc(C(=O)N2CCN(C(=O)NC3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C31H29N5O2/c1-34(24-14-16-32-17-15-24)23-12-10-22(11-13-23)30(37)35-18-20-36(21-19-35)31(38)33-29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-17,29H,18-21H2,1H3,(H,33,38)
InChIKeyBRGBJDFDEBFJBN-UHFFFAOYSA-N
XLogP5.09
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 58899705
N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899814
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 58899714
N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899757
N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 143496573
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
1-chloro-2-hydroxysulfanylbenzene;[4-[methyl(pyridin-4-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 143496580
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
N-(2,4-dimethylphenyl)formamide;(4-methylpiperazin-1-yl)-[4-[methyl(pyridin-4-yl)amino]phenyl]methanone
CID 143496568
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
methyl 4-(pyridine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 84549542
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (CID 58899819) is N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is CN(c1ccncc1)c1ccc(C(=O)N2CCN(C(=O)NC3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The InChIKey is BRGBJDFDEBFJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-34(24-14-16-32-17-15-24)23-12-10-22(11-13-23)30(37)35-18-20-36(21-19-35)31(38)33-29-27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-17,29H,18-21H2,1H3,(H,33,38).
What are the key properties of N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 58899819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).