2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane

C16H34N4O2 — CID 142427585

IUPAC2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane
SMILESC.CN(C)C=O.NCC(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C12H23N3O.C3H7NO.CH4/c13-9-12(16)15-7-3-11(4-8-15)10-14-5-1-2-6-14;1-4(2)3-5;/h11H,1-10,13H2;3H,1-2H3;1H4
InChIKeyJMJFMCYZJCSOEL-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.62
Rot. Bonds4

About 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane

2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane (PubChem CID 142427585) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane.

Molecular Properties

Compound Name2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane
PubChem CID142427585
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC Name2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane
SMILESC.CN(C)C=O.NCC(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C12H23N3O.C3H7NO.CH4/c13-9-12(16)15-7-3-11(4-8-15)10-14-5-1-2-6-14;1-4(2)3-5;/h11H,1-10,13H2;3H,1-2H3;1H4
InChIKeyJMJFMCYZJCSOEL-UHFFFAOYSA-N
XLogP0.62
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
2-amino-1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]ethanone
CID 119867511
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
cyclopropyl-[4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 91919810
2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
CID 178167886
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 82821865
2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 140912213

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane?
The IUPAC name of 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane (CID 142427585) is 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane.
What is the SMILES notation for 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane?
The canonical SMILES for 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane is C.CN(C)C=O.NCC(=O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane?
The InChIKey is JMJFMCYZJCSOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.C3H7NO.CH4/c13-9-12(16)15-7-3-11(4-8-15)10-14-5-1-2-6-14;1-4(2)3-5;/h11H,1-10,13H2;3H,1-2H3;1H4.
What are the key properties of 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane?
2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane has a molecular weight of 314.47 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane is sourced from PubChem (CID 142427585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).