N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C23H31F6N3O2 — CID 130216442

IUPACN-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)CN1CCC(CNC(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C23H31F6N3O2/c1-15-4-2-3-7-32(15)20(33)14-31-8-5-16(6-9-31)13-30-21(34)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h10,12,15-16,19H,2-9,11,13-14H2,1H3,(H,30,34)/t15-,19?/m1/s1
InChIKeyBTYFMZASLRCMJY-NYRJJRHWSA-N
MW495.51 g/mol
LogP4.21
Rot. Bonds5

About N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 130216442) has the molecular formula C23H31F6N3O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID130216442
Molecular FormulaC23H31F6N3O2
Molecular Weight495.51 g/mol
Exact Mass495.23
IUPAC NameN-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESC[C@@H]1CCCCN1C(=O)CN1CCC(CNC(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C23H31F6N3O2/c1-15-4-2-3-7-32(15)20(33)14-31-8-5-16(6-9-31)13-30-21(34)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h10,12,15-16,19H,2-9,11,13-14H2,1H3,(H,30,34)/t15-,19?/m1/s1
InChIKeyBTYFMZASLRCMJY-NYRJJRHWSA-N
XLogP4.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 130216442) is N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is C[C@@H]1CCCCN1C(=O)CN1CCC(CNC(=O)C2=CC(C(F)(F)F)=CC(C(F)(F)F)C2)CC1.
What is the InChIKey of N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is BTYFMZASLRCMJY-NYRJJRHWSA-N. The full InChI is InChI=1S/C23H31F6N3O2/c1-15-4-2-3-7-32(15)20(33)14-31-8-5-16(6-9-31)13-30-21(34)17-10-18(22(24,25)26)12-19(11-17)23(27,28)29/h10,12,15-16,19H,2-9,11,13-14H2,1H3,(H,30,34)/t15-,19?/m1/s1.
What are the key properties of N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 130216442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).