N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride

C14H32Cl2N4O — CID 119895410

IUPACN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCN1CCC(N(C)C)CC1.Cl.Cl
InChIInChI=1S/C14H30N4O.2ClH/c1-15-8-4-5-14(19)16-9-12-18-10-6-13(7-11-18)17(2)3;;/h13,15H,4-12H2,1-3H3,(H,16,19);2*1H
InChIKeyPMANPKVDSKSQLN-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.97
Rot. Bonds8

About N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119895410) has the molecular formula C14H32Cl2N4O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119895410
Molecular FormulaC14H32Cl2N4O
Molecular Weight343.34 g/mol
Exact Mass342.20
IUPAC NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCCN1CCC(N(C)C)CC1.Cl.Cl
InChIInChI=1S/C14H30N4O.2ClH/c1-15-8-4-5-14(19)16-9-12-18-10-6-13(7-11-18)17(2)3;;/h13,15H,4-12H2,1-3H3,(H,16,19);2*1H
InChIKeyPMANPKVDSKSQLN-UHFFFAOYSA-N
XLogP0.97
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
5-[4-(dimethylamino)piperidin-1-yl]pentanehydrazide
CID 55213443
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
CID 119895445
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 119895441
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119874340
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride (CID 119895410) is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCCN1CCC(N(C)C)CC1.Cl.Cl.
What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is PMANPKVDSKSQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O.2ClH/c1-15-8-4-5-14(19)16-9-12-18-10-6-13(7-11-18)17(2)3;;/h13,15H,4-12H2,1-3H3,(H,16,19);2*1H.
What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 343.34 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119895410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).