N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

C30H28N4O2 — CID 90519855

IUPACN-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4ccc5c(c4)Cc4ccccc4-5)C3)ncn2)cc1
InChIInChI=1S/C30H28N4O2/c1-36-25-11-8-20(9-12-25)28-17-29(32-19-31-28)34-14-4-6-22(18-34)30(35)33-24-10-13-27-23(16-24)15-21-5-2-3-7-26(21)27/h2-3,5,7-13,16-17,19,22H,4,6,14-15,18H2,1H3,(H,33,35)
InChIKeyGXZXUENSPFZJJU-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.58
Rot. Bonds5

About N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide

N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 90519855) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID90519855
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC NameN-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2cc(N3CCCC(C(=O)Nc4ccc5c(c4)Cc4ccccc4-5)C3)ncn2)cc1
InChIInChI=1S/C30H28N4O2/c1-36-25-11-8-20(9-12-25)28-17-29(32-19-31-28)34-14-4-6-22(18-34)30(35)33-24-10-13-27-23(16-24)15-21-5-2-3-7-26(21)27/h2-3,5,7-13,16-17,19,22H,4,6,14-15,18H2,1H3,(H,33,35)
InChIKeyGXZXUENSPFZJJU-UHFFFAOYSA-N
XLogP5.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519895
N-(3,4-dimethoxyphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519727
N-[4-(dimethylamino)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519788
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 90519749
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519790
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 90519570
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 90519855) is N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is COc1ccc(-c2cc(N3CCCC(C(=O)Nc4ccc5c(c4)Cc4ccccc4-5)C3)ncn2)cc1.
What is the InChIKey of N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is GXZXUENSPFZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-36-25-11-8-20(9-12-25)28-17-29(32-19-31-28)34-14-4-6-22(18-34)30(35)33-24-10-13-27-23(16-24)15-21-5-2-3-7-26(21)27/h2-3,5,7-13,16-17,19,22H,4,6,14-15,18H2,1H3,(H,33,35).
What are the key properties of N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 90519855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).