1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide

C15H26N4O2 — CID 123313839

IUPAC1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide
SMILESNC(=O)C1CN(CC(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C15H26N4O2/c16-15(21)12-9-17(10-12)11-14(20)19-6-2-5-18(7-8-19)13-3-1-4-13/h12-13H,1-11H2,(H2,16,21)
InChIKeyVYPNYUWNDCCIIU-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.51
Rot. Bonds4

About 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide

1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide (PubChem CID 123313839) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide
PubChem CID123313839
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide
SMILESNC(=O)C1CN(CC(=O)N2CCCN(C3CCC3)CC2)C1
InChIInChI=1S/C15H26N4O2/c16-15(21)12-9-17(10-12)11-14(20)19-6-2-5-18(7-8-19)13-3-1-4-13/h12-13H,1-11H2,(H2,16,21)
InChIKeyVYPNYUWNDCCIIU-UHFFFAOYSA-N
XLogP-0.51
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)propan-1-one
CID 83634844
4-cyclobutylpiperazine-1-carboxamide
CID 53426578
1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 110098556
(6S)-1-acetyl-4-cyclohexyl-1,4-diazepane-6-carboxamide
CID 124972494
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 57443202
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 79937729
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
2-(4-cyclobutylpiperazin-1-yl)acetamide;hydrochloride
CID 121020770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide?
The IUPAC name of 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide (CID 123313839) is 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide is NC(=O)C1CN(CC(=O)N2CCCN(C3CCC3)CC2)C1.
What is the InChIKey of 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide?
The InChIKey is VYPNYUWNDCCIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c16-15(21)12-9-17(10-12)11-14(20)19-6-2-5-18(7-8-19)13-3-1-4-13/h12-13H,1-11H2,(H2,16,21).
What are the key properties of 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide?
1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclobutyl-1,4-diazepan-1-yl)-2-oxoethyl]azetidine-3-carboxamide is sourced from PubChem (CID 123313839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).