4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide

C27H33FN2O2 — CID 95805736

IUPAC4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1
InChIInChI=1S/C27H33FN2O2/c1-18(2)29-26(32)27(12-14-30(15-13-27)25(31)23-16-19(23)3)17-20-8-10-21(11-9-20)22-6-4-5-7-24(22)28/h4-11,18-19,23H,12-17H2,1-3H3,(H,29,32)/t19-,23+/m0/s1
InChIKeyOHCQUVFMIHCBTN-WMZHIEFXSA-N
MW436.57 g/mol
LogP4.82
Rot. Bonds6

About 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide

4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 95805736) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID95805736
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC Name4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1
InChIInChI=1S/C27H33FN2O2/c1-18(2)29-26(32)27(12-14-30(15-13-27)25(31)23-16-19(23)3)17-20-8-10-21(11-9-20)22-6-4-5-7-24(22)28/h4-11,18-19,23H,12-17H2,1-3H3,(H,29,32)/t19-,23+/m0/s1
InChIKeyOHCQUVFMIHCBTN-WMZHIEFXSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 95805736) is 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is OHCQUVFMIHCBTN-WMZHIEFXSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-18(2)29-26(32)27(12-14-30(15-13-27)25(31)23-16-19(23)3)17-20-8-10-21(11-9-20)22-6-4-5-7-24(22)28/h4-11,18-19,23H,12-17H2,1-3H3,(H,29,32)/t19-,23+/m0/s1.
What are the key properties of 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 436.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 95805736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).