(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

C18H33N3O3 — CID 124731992

IUPAC(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@H]1OCC[C@]12CN(C(=O)NCC1(CN(C)C)CCCC1)CCO2
InChIInChI=1S/C18H33N3O3/c1-15-18(8-10-23-15)14-21(9-11-24-18)16(22)19-12-17(13-20(2)3)6-4-5-7-17/h15H,4-14H2,1-3H3,(H,19,22)/t15-,18+/m1/s1
InChIKeyJHBMGCRYJKAQQM-QAPCUYQASA-N
MW339.48 g/mol
LogP1.70
Rot. Bonds4

About (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide

(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 124731992) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID124731992
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@H]1OCC[C@]12CN(C(=O)NCC1(CN(C)C)CCCC1)CCO2
InChIInChI=1S/C18H33N3O3/c1-15-18(8-10-23-15)14-21(9-11-24-18)16(22)19-12-17(13-20(2)3)6-4-5-7-17/h15H,4-14H2,1-3H3,(H,19,22)/t15-,18+/m1/s1
InChIKeyJHBMGCRYJKAQQM-QAPCUYQASA-N
XLogP1.70
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide (CID 124731992) is (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@H]1OCC[C@]12CN(C(=O)NCC1(CN(C)C)CCCC1)CCO2.
What is the InChIKey of (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is JHBMGCRYJKAQQM-QAPCUYQASA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15-18(8-10-23-15)14-21(9-11-24-18)16(22)19-12-17(13-20(2)3)6-4-5-7-17/h15H,4-14H2,1-3H3,(H,19,22)/t15-,18+/m1/s1.
What are the key properties of (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide?
(1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 124731992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).