N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide

C15H27N3O3 — CID 126808061

IUPACN-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
SMILESO=C(NCCC1(O)CCOCC1)N1CCN2CCC1CC2
InChIInChI=1S/C15H27N3O3/c19-14(16-6-3-15(20)4-11-21-12-5-15)18-10-9-17-7-1-13(18)2-8-17/h13,20H,1-12H2,(H,16,19)
InChIKeyQWXMWHORDSVZQV-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.41
Rot. Bonds3

About N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide

N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide (PubChem CID 126808061) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
PubChem CID126808061
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
SMILESO=C(NCCC1(O)CCOCC1)N1CCN2CCC1CC2
InChIInChI=1S/C15H27N3O3/c19-14(16-6-3-15(20)4-11-21-12-5-15)18-10-9-17-7-1-13(18)2-8-17/h13,20H,1-12H2,(H,16,19)
InChIKeyQWXMWHORDSVZQV-UHFFFAOYSA-N
XLogP0.41
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide
CID 126804783
4-ethyl-N-[2-(4-hydroxyoxan-4-yl)ethyl]morpholine-2-carboxamide
CID 154743221
4-[2-(thietan-3-ylamino)ethyl]oxan-4-ol
CID 170904295
(3S)-N-[2-(1-hydroxycyclobutyl)ethyl]-3-methoxypyrrolidine-1-carboxamide
CID 146088458
(1R)-N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95986197
1-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 120973129
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 106100321
tert-butyl N-[2-(3-hydroxyoxolan-3-yl)ethyl]carbamate
CID 105489495
N-[(2R)-2-(2,4-difluorophenyl)propyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide
CID 100641141
2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 136511579
(4aS,7aR)-N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 94555627
N-(2-morpholin-4-ylethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide
CID 71887228

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide (CID 126808061) is N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide is O=C(NCCC1(O)CCOCC1)N1CCN2CCC1CC2.
What is the InChIKey of N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
The InChIKey is QWXMWHORDSVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-14(16-6-3-15(20)4-11-21-12-5-15)18-10-9-17-7-1-13(18)2-8-17/h13,20H,1-12H2,(H,16,19).
What are the key properties of N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide?
N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyoxan-4-yl)ethyl]-1,4-diazabicyclo[3.2.2]nonane-4-carboxamide is sourced from PubChem (CID 126808061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).