4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide

C22H33FN4O2 — CID 42300426

IUPAC4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C22H33FN4O2/c1-24(2)22(29)27-13-10-17(11-14-27)21(28)25(3)19-8-6-12-26(16-19)15-18-7-4-5-9-20(18)23/h4-5,7,9,17,19H,6,8,10-16H2,1-3H3/t19-/m1/s1
InChIKeyVCGVJYCBJSLVRQ-LJQANCHMSA-N
MW404.53 g/mol
LogP2.64
Rot. Bonds4

About 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide

4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide (PubChem CID 42300426) has the molecular formula C22H33FN4O2 and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
PubChem CID42300426
Molecular FormulaC22H33FN4O2
Molecular Weight404.53 g/mol
Exact Mass404.26
IUPAC Name4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)CC1
InChIInChI=1S/C22H33FN4O2/c1-24(2)22(29)27-13-10-17(11-14-27)21(28)25(3)19-8-6-12-26(16-19)15-18-7-4-5-9-20(18)23/h4-5,7,9,17,19H,6,8,10-16H2,1-3H3/t19-/m1/s1
InChIKeyVCGVJYCBJSLVRQ-LJQANCHMSA-N
XLogP2.64
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42341590
2-(ethylamino)-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidine-5-carboxamide
CID 95716393
N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
CID 42396155
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide (CID 42300426) is 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)CC1.
What is the InChIKey of 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide?
The InChIKey is VCGVJYCBJSLVRQ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33FN4O2/c1-24(2)22(29)27-13-10-17(11-14-27)21(28)25(3)19-8-6-12-26(16-19)15-18-7-4-5-9-20(18)23/h4-5,7,9,17,19H,6,8,10-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide?
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide has a molecular weight of 404.53 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 42300426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).