4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C24H29F3N4O3 — CID 143812234

IUPAC4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1)NC12CC3CC4CC(C1)C432
InChIInChI=1S/C24H29F3N4O3/c25-24(26,27)34-19-4-2-1-3-18(19)29-21(33)31-7-5-14(6-8-31)13-28-20(32)30-22-11-16-9-15-10-17(12-22)23(15,16)22/h1-4,14-17H,5-13H2,(H,29,33)(H2,28,30,32)
InChIKeyNOBAEZYWMUBIDC-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.32
Rot. Bonds5

About 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 143812234) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID143812234
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(NCC1CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1)NC12CC3CC4CC(C1)C432
InChIInChI=1S/C24H29F3N4O3/c25-24(26,27)34-19-4-2-1-3-18(19)29-21(33)31-7-5-14(6-8-31)13-28-20(32)30-22-11-16-9-15-10-17(12-22)23(15,16)22/h1-4,14-17H,5-13H2,(H,29,33)(H2,28,30,32)
InChIKeyNOBAEZYWMUBIDC-UHFFFAOYSA-N
XLogP4.32
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
4-[(1-adamantylcarbamoylamino)methyl]-N-(2-chlorophenyl)piperidine-1-carboxamide
CID 69082258
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
(3S,4S)-1-[[2-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122075015
4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
tert-butyl N-methyl-N-[[1-[[2-(trifluoromethoxy)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519300
1-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 47016115
1-[(4-chlorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3859950

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 143812234) is 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(NCC1CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1)NC12CC3CC4CC(C1)C432.
What is the InChIKey of 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is NOBAEZYWMUBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c25-24(26,27)34-19-4-2-1-3-18(19)29-21(33)31-7-5-14(6-8-31)13-28-20(32)30-22-11-16-9-15-10-17(12-22)23(15,16)22/h1-4,14-17H,5-13H2,(H,29,33)(H2,28,30,32).
What are the key properties of 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tetracyclo[3.3.1.03,9.07,9]nonanylcarbamoylamino)methyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 143812234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).