methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate

About methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate

methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate (PubChem CID 59201727) has the molecular formula C26H43FN4O4 and a molecular weight of 494.65 g/mol. Its IUPAC name is methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate.

Molecular Properties

Compound Name	methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate
PubChem CID	59201727
Molecular Formula	C26H43FN4O4
Molecular Weight	494.65 g/mol
Exact Mass	494.33
IUPAC Name	methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate
SMILES	CCC(C)(C)C[C@@H](CNC)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(F)c2)C1
InChI	InChI=1S/C26H43FN4O4/c1-6-26(2,3)16-22(17-28-4)30-24(32)31-13-8-10-20(18-31)23(19-9-7-11-21(27)15-19)35-14-12-29-25(33)34-5/h7,9,11,15,20,22-23,28H,6,8,10,12-14,16-18H2,1-5H3,(H,29,33)(H,30,32)/t20-,22+,23+/m1/s1
InChIKey	VOPIYIRZFHOPCD-PUHATCMVSA-N
XLogP	4.08
TPSA	91.93 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	12
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.65
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate?

The IUPAC name of methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate (CID 59201727) is methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate?

The canonical SMILES for methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate is CCC(C)(C)C[C@@H](CNC)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(F)c2)C1.

What is the InChIKey of methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate?

The InChIKey is VOPIYIRZFHOPCD-PUHATCMVSA-N. The full InChI is InChI=1S/C26H43FN4O4/c1-6-26(2,3)16-22(17-28-4)30-24(32)31-13-8-10-20(18-31)23(19-9-7-11-21(27)15-19)35-14-12-29-25(33)34-5/h7,9,11,15,20,22-23,28H,6,8,10,12-14,16-18H2,1-5H3,(H,29,33)(H,30,32)/t20-,22+,23+/m1/s1.

What are the key properties of methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate?

methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate has a molecular weight of 494.65 g/mol, XLogP of 4.08, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[(R)-[(3R)-1-[[(2S)-4,4-dimethyl-1-(methylamino)hexan-2-yl]carbamoyl]piperidin-3-yl]-(3-fluorophenyl)methoxy]ethyl]carbamate is sourced from PubChem (CID 59201727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).