N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide

C14H25N3O2 — CID 55249454

IUPACN-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
SMILESCN(CC1CCCC1)C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H25N3O2/c1-16(11-12-5-2-3-6-12)13(18)14(19)17-9-4-7-15-8-10-17/h12,15H,2-11H2,1H3
InChIKeyKZOHMFWSBKVUHM-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.46
Rot. Bonds2

About N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide

N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide (PubChem CID 55249454) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
PubChem CID55249454
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide
SMILESCN(CC1CCCC1)C(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H25N3O2/c1-16(11-12-5-2-3-6-12)13(18)14(19)17-9-4-7-15-8-10-17/h12,15H,2-11H2,1H3
InChIKeyKZOHMFWSBKVUHM-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 60890278
2-(1,4-diazepan-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 43374352
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylsulfanylethyl)-2-oxoacetamide
CID 112663025
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
2-(1,4-diazepan-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-oxoacetamide
CID 54998306
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
1-(1,4-diazepan-1-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethane-1,2-dione
CID 62890091
2-(1,4-diazepan-1-yl)-N-methyl-N-(3-methylcyclohexyl)-2-oxoacetamide
CID 61447821
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
N-methyl-2-oxo-2-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63209113
N-cyclohexyl-N-ethyl-2-oxo-2-piperazin-1-ylacetamide
CID 43145099
N-(2-cyanoethyl)-N-methyl-2-oxo-2-piperazin-1-ylacetamide
CID 82509684

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide (CID 55249454) is N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide is CN(CC1CCCC1)C(=O)C(=O)N1CCCNCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide?
The InChIKey is KZOHMFWSBKVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16(11-12-5-2-3-6-12)13(18)14(19)17-9-4-7-15-8-10-17/h12,15H,2-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide?
N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide has a molecular weight of 267.37 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(1,4-diazepan-1-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 55249454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).