N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide

C18H25N3O4 — CID 113120592

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCC2(CC1)OCCO2)Cc1ccncc1
InChIInChI=1S/C18H25N3O4/c1-15(22)21(14-16-2-7-19-8-3-16)9-4-17(23)20-10-5-18(6-11-20)24-12-13-25-18/h2-3,7-8H,4-6,9-14H2,1H3
InChIKeyNWLGNKSJPNNTHK-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.19
Rot. Bonds5

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide

N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113120592) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113120592
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCC2(CC1)OCCO2)Cc1ccncc1
InChIInChI=1S/C18H25N3O4/c1-15(22)21(14-16-2-7-19-8-3-16)9-4-17(23)20-10-5-18(6-11-20)24-12-13-25-18/h2-3,7-8H,4-6,9-14H2,1H3
InChIKeyNWLGNKSJPNNTHK-UHFFFAOYSA-N
XLogP1.19
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120600
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120598
N-benzyl-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]methanesulfonamide
CID 113138654
3-(N-benzylanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028432
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164363
N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113165586
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44902292
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide (CID 113120592) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CCC(=O)N1CCC2(CC1)OCCO2)Cc1ccncc1.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NWLGNKSJPNNTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-15(22)21(14-16-2-7-19-8-3-16)9-4-17(23)20-10-5-18(6-11-20)24-12-13-25-18/h2-3,7-8H,4-6,9-14H2,1H3.
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).