5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

C19H35N3O2 — CID 163493036

IUPAC5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCC(N)C1CN(CC2CCCCC2)C(=O)OC12CCNCC2
InChIInChI=1S/C19H35N3O2/c1-2-6-17(20)16-14-22(13-15-7-4-3-5-8-15)18(23)24-19(16)9-11-21-12-10-19/h15-17,21H,2-14,20H2,1H3
InChIKeyCOGUZVOPERCQLD-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.88
Rot. Bonds5

About 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (PubChem CID 163493036) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
PubChem CID163493036
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
SMILESCCCC(N)C1CN(CC2CCCCC2)C(=O)OC12CCNCC2
InChIInChI=1S/C19H35N3O2/c1-2-6-17(20)16-14-22(13-15-7-4-3-5-8-15)18(23)24-19(16)9-11-21-12-10-19/h15-17,21H,2-14,20H2,1H3
InChIKeyCOGUZVOPERCQLD-UHFFFAOYSA-N
XLogP2.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(piperidin-3-yl)piperidine-1-carboxylate
CID 19691271
Tert-butyl 2,4'-bipiperidine-1'-carboxylate
CID 71305776
Tert-butyl 3-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 82667702
Tert-butyl 3-[2-(piperidin-3-yl)ethyl]piperidine-1-carboxylate
CID 82667703
Tert-butyl 4-[3-(4-piperidinyl)propyl]-1-piperidinecarboxylate
CID 57421831
Tert-butyl 4-(2-(piperidin-4-yl)ethyl)piperidine-1-carboxylate
CID 11652305
Tert-butyl 2-[2-(3-fluoropropylamino)cyclohexyl]piperidine-1-carboxylate
CID 114266926
Tert-butyl 3-[3-(piperidin-3-yl)propyl]piperidine-1-carboxylate
CID 155822164
Tert-butyl 3-[3-(piperidin-4-yl)propyl]piperidine-1-carboxylate
CID 155822294
Tert-butyl 4-[(cyclohexylmethyl)amino]piperidine-1-carboxylate
CID 15380712
2-Amino-1,3-bis(1-tert-butoxycarbonyl-4-piperidinyl)propane
CID 18770468
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one (CID 163493036) is 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is CCCC(N)C1CN(CC2CCCCC2)C(=O)OC12CCNCC2.
What is the InChIKey of 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is COGUZVOPERCQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-2-6-17(20)16-14-22(13-15-7-4-3-5-8-15)18(23)24-19(16)9-11-21-12-10-19/h15-17,21H,2-14,20H2,1H3.
What are the key properties of 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one?
5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 337.51 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 163493036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).