N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C20H35N3O3 — CID 87054528

IUPACN-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CCNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C20H35N3O3/c1-16(2)6-9-21-19(25)23-14-17(18(24)22-10-4-3-5-11-22)20(15-23)7-12-26-13-8-20/h16-17H,3-15H2,1-2H3,(H,21,25)
InChIKeyWOHDQGJEAVYJNJ-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.48
Rot. Bonds4

About N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054528) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054528
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CCNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C20H35N3O3/c1-16(2)6-9-21-19(25)23-14-17(18(24)22-10-4-3-5-11-22)20(15-23)7-12-26-13-8-20/h16-17H,3-15H2,1-2H3,(H,21,25)
InChIKeyWOHDQGJEAVYJNJ-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054528) is N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CC(C)CCNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is WOHDQGJEAVYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-16(2)6-9-21-19(25)23-14-17(18(24)22-10-4-3-5-11-22)20(15-23)7-12-26-13-8-20/h16-17H,3-15H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).