methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate

About methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate

methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate (PubChem CID 68711615) has the molecular formula C26H42N4O5 and a molecular weight of 490.65 g/mol. Its IUPAC name is methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate.

Molecular Properties

Compound Name	methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
PubChem CID	68711615
Molecular Formula	C26H42N4O5
Molecular Weight	490.65 g/mol
Exact Mass	490.32
IUPAC Name	methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
SMILES	CNC[C@H](CC1CCOCC1)NC(=O)N1CCC[C@@H](C(OCCNC(=O)OC)c2ccccc2)C1
InChI	InChI=1S/C26H42N4O5/c1-27-18-23(17-20-10-14-34-15-11-20)29-25(31)30-13-6-9-22(19-30)24(21-7-4-3-5-8-21)35-16-12-28-26(32)33-2/h3-5,7-8,20,22-24,27H,6,9-19H2,1-2H3,(H,28,32)(H,29,31)/t22-,23+,24?/m1/s1
InChIKey	HOUMDTLDSRLYFG-NHIDMIJISA-N
XLogP	2.93
TPSA	101.16 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

The IUPAC name of methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate (CID 68711615) is methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

The canonical SMILES for methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate is CNC[C@H](CC1CCOCC1)NC(=O)N1CCC[C@@H](C(OCCNC(=O)OC)c2ccccc2)C1.

What is the InChIKey of methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

The InChIKey is HOUMDTLDSRLYFG-NHIDMIJISA-N. The full InChI is InChI=1S/C26H42N4O5/c1-27-18-23(17-20-10-14-34-15-11-20)29-25(31)30-13-6-9-22(19-30)24(21-7-4-3-5-8-21)35-16-12-28-26(32)33-2/h3-5,7-8,20,22-24,27H,6,9-19H2,1-2H3,(H,28,32)(H,29,31)/t22-,23+,24?/m1/s1.

What are the key properties of methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate has a molecular weight of 490.65 g/mol, XLogP of 2.93, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate is sourced from PubChem (CID 68711615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).