(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate

C15H26N2O4 — CID 67332553

IUPAC(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC2(C)CC2)CC[C@H]1COC1CNC1
InChIInChI=1S/C15H26N2O4/c1-15(4-5-15)21-14(18)17-6-3-11(13(9-17)19-2)10-20-12-7-16-8-12/h11-13,16H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyNSEWINJDDSRASA-AAEUAGOBSA-N
MW298.38 g/mol
LogP1.00
Rot. Bonds5

About (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate

(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate (PubChem CID 67332553) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate
PubChem CID67332553
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC2(C)CC2)CC[C@H]1COC1CNC1
InChIInChI=1S/C15H26N2O4/c1-15(4-5-15)21-14(18)17-6-3-11(13(9-17)19-2)10-20-12-7-16-8-12/h11-13,16H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyNSEWINJDDSRASA-AAEUAGOBSA-N
XLogP1.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate (CID 67332553) is (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate is CO[C@H]1CN(C(=O)OC2(C)CC2)CC[C@H]1COC1CNC1.
What is the InChIKey of (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate?
The InChIKey is NSEWINJDDSRASA-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(4-5-15)21-14(18)17-6-3-11(13(9-17)19-2)10-20-12-7-16-8-12/h11-13,16H,3-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate?
(1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) (3R,4S)-4-(azetidin-3-yloxymethyl)-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 67332553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).