(4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone

C24H35N3O4 — CID 93019323

IUPAC(4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone
SMILESCCN1CCN(C(=O)[C@@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C24H35N3O4/c1-4-25-12-14-26(15-13-25)23(29)21-17-31-24(10-8-18(2)9-11-24)27(21)22(28)19-6-5-7-20(16-19)30-3/h5-7,16,18,21H,4,8-15,17H2,1-3H3/t18?,21-,24?/m0/s1
InChIKeyIGRWYZRWXUHDOD-VZQLXNMESA-N
MW429.56 g/mol
LogP2.61
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone

(4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone (PubChem CID 93019323) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone
PubChem CID93019323
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name(4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone
SMILESCCN1CCN(C(=O)[C@@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C24H35N3O4/c1-4-25-12-14-26(15-13-25)23(29)21-17-31-24(10-8-18(2)9-11-24)27(21)22(28)19-6-5-7-20(16-19)30-3/h5-7,16,18,21H,4,8-15,17H2,1-3H3/t18?,21-,24?/m0/s1
InChIKeyIGRWYZRWXUHDOD-VZQLXNMESA-N
XLogP2.61
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxamide
CID 93019327
1-[4-[(3S)-4-(3-chlorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carbonyl]piperazin-1-yl]ethanone
CID 93144477
ethyl 1-[4-(3-methoxybenzoyl)-8-propanoyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate
CID 71956179
[(3S)-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 93019040
(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658061
(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658062
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
(3S)-4-(3-methoxybenzoyl)-8-propanoyl-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478249
(3R)-8-(3-fluorobenzoyl)-4-(3-methoxybenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138692
N-butan-2-yl-8-(3-methoxybenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955315
(3R)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138648
(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138647

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone (CID 93019323) is (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone is CCN1CCN(C(=O)[C@@H]2COC3(CCC(C)CC3)N2C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone?
The InChIKey is IGRWYZRWXUHDOD-VZQLXNMESA-N. The full InChI is InChI=1S/C24H35N3O4/c1-4-25-12-14-26(15-13-25)23(29)21-17-31-24(10-8-18(2)9-11-24)27(21)22(28)19-6-5-7-20(16-19)30-3/h5-7,16,18,21H,4,8-15,17H2,1-3H3/t18?,21-,24?/m0/s1.
What are the key properties of (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone?
(4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone has a molecular weight of 429.56 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]methanone is sourced from PubChem (CID 93019323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).