9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate

C29H30N2O3 — CID 169470517

IUPAC9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(C2(O)CCNCC2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H30N2O3/c32-28(34-20-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27)31-17-5-6-21-11-13-22(14-12-21)29(33)15-18-30-19-16-29/h1-14,27,30,33H,15-20H2,(H,31,32)
InChIKeyYEECROCMKQKZJT-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.81
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate (PubChem CID 169470517) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate
PubChem CID169470517
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(C2(O)CCNCC2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H30N2O3/c32-28(34-20-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27)31-17-5-6-21-11-13-22(14-12-21)29(33)15-18-30-19-16-29/h1-14,27,30,33H,15-20H2,(H,31,32)
InChIKeyYEECROCMKQKZJT-UHFFFAOYSA-N
XLogP4.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
CID 169470346
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
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2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
CID 169470427
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate (CID 169470517) is 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(C2(O)CCNCC2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate?
The InChIKey is YEECROCMKQKZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c32-28(34-20-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27)31-17-5-6-21-11-13-22(14-12-21)29(33)15-18-30-19-16-29/h1-14,27,30,33H,15-20H2,(H,31,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate has a molecular weight of 454.57 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).