4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one

C12H23N3O — CID 60946858

IUPAC4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H23N3O/c13-5-1-2-12(16)15-8-6-14(7-9-15)10-11-3-4-11/h11H,1-10,13H2
InChIKeyPWLFVQXVNAQTMB-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds5

About 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one (PubChem CID 60946858) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
PubChem CID60946858
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H23N3O/c13-5-1-2-12(16)15-8-6-14(7-9-15)10-11-3-4-11/h11H,1-10,13H2
InChIKeyPWLFVQXVNAQTMB-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]heptan-1-one
CID 119851740
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropanethioamide
CID 61443196
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119887218
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876677

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one (CID 60946858) is 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one?
The InChIKey is PWLFVQXVNAQTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-5-1-2-12(16)15-8-6-14(7-9-15)10-11-3-4-11/h11H,1-10,13H2.
What are the key properties of 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 60946858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).