[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone

C23H34N4O2 — CID 97491444

IUPAC[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
SMILESCCc1ccc(CN2CC[C@@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1
InChIInChI=1S/C23H34N4O2/c1-4-18-5-7-19(8-6-18)16-26-14-11-23(17-26)15-21(24-29-23)22(28)27-12-9-20(10-13-27)25(2)3/h5-8,20H,4,9-17H2,1-3H3/t23-/m1/s1
InChIKeyRYUIMIWCOVBLAJ-HSZRJFAPSA-N
MW398.55 g/mol
LogP2.52
Rot. Bonds5

About [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone

[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone (PubChem CID 97491444) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
PubChem CID97491444
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
SMILESCCc1ccc(CN2CC[C@@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1
InChIInChI=1S/C23H34N4O2/c1-4-18-5-7-19(8-6-18)16-26-14-11-23(17-26)15-21(24-29-23)22(28)27-12-9-20(10-13-27)25(2)3/h5-8,20H,4,9-17H2,1-3H3/t23-/m1/s1
InChIKeyRYUIMIWCOVBLAJ-HSZRJFAPSA-N
XLogP2.52
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
CID 97491439
(5S)-N-cyclobutyl-7-[[4-(dimethylamino)phenyl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396180
7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131651861
7-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131644328
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131653729
N-(1,1-dioxothiolan-3-yl)-9-[(4-propan-2-ylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155874906
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
N,N-dimethyl-4-[(3-methyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methyl]aniline
CID 134799440
(5S)-9-N-(4-ethylphenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490929
(5R)-N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491587
N-(furan-2-ylmethyl)-7-(pyridin-4-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131655320

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone (CID 97491444) is [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone is CCc1ccc(CN2CC[C@@]3(CC(C(=O)N4CCC(N(C)C)CC4)=NO3)C2)cc1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
The InChIKey is RYUIMIWCOVBLAJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-4-18-5-7-19(8-6-18)16-26-14-11-23(17-26)15-21(24-29-23)22(28)27-12-9-20(10-13-27)25(2)3/h5-8,20H,4,9-17H2,1-3H3/t23-/m1/s1.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[(5R)-7-[(4-ethylphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone is sourced from PubChem (CID 97491444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).