N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C33H36N4O3 — CID 52935797

IUPACN-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(C(C)(C)O)CN(C3c4ccccc4-c4ccccc43)C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C33H36N4O3/c1-21-17-37(20-34-21)29-14-13-22(15-30(29)40-4)32(38)35-24-16-23(33(2,3)39)18-36(19-24)31-27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h5-15,17,20,23-24,31,39H,16,18-19H2,1-4H3,(H,35,38)
InChIKeyHKBDHOASTIZEBJ-UHFFFAOYSA-N
MW536.68 g/mol
LogP5.15
Rot. Bonds6

About N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 52935797) has the molecular formula C33H36N4O3 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID52935797
Molecular FormulaC33H36N4O3
Molecular Weight536.68 g/mol
Exact Mass536.28
IUPAC NameN-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(C(C)(C)O)CN(C3c4ccccc4-c4ccccc43)C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C33H36N4O3/c1-21-17-37(20-34-21)29-14-13-22(15-30(29)40-4)32(38)35-24-16-23(33(2,3)39)18-36(19-24)31-27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h5-15,17,20,23-24,31,39H,16,18-19H2,1-4H3,(H,35,38)
InChIKeyHKBDHOASTIZEBJ-UHFFFAOYSA-N
XLogP5.15
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(9H-fluoren-9-yl)piperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52934695
N-[1-[(4-chlorophenyl)methyl]-5-hydroxypiperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 52936019
N-[5-hydroxy-1-[(3,4,5-trifluorophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 52936020
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 70687594
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
N-[1-(9H-fluoren-9-yl)-4-hydroxypiperidin-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52934692
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
tert-butyl N-[[2-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]acetyl]amino]carbamate
CID 66790958
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 46899094

Frequently Asked Questions

What is the IUPAC name of N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 52935797) is N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NC2CC(C(C)(C)O)CN(C3c4ccccc4-c4ccccc43)C2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is HKBDHOASTIZEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O3/c1-21-17-37(20-34-21)29-14-13-22(15-30(29)40-4)32(38)35-24-16-23(33(2,3)39)18-36(19-24)31-27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h5-15,17,20,23-24,31,39H,16,18-19H2,1-4H3,(H,35,38).
What are the key properties of N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 536.68 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9H-fluoren-9-yl)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 52935797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).