N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine

C43H100N4O — CID 157093889

IUPACN,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine
SMILESC.C.CC(C)CC(=O)N(C)C1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C
InChIInChI=1S/C12H24N2O.C9H20N2.4C5H12.2CH4/c1-10(2)9-12(15)14(4)11-5-7-13(3)8-6-11;1-9(2)8-11-6-4-10(3)5-7-11;4*1-4-5(2)3;;/h10-11H,5-9H2,1-4H3;9H,4-8H2,1-3H3;4*5H,4H2,1-3H3;2*1H4
InChIKeyAEZCGQVQIHUXJZ-UHFFFAOYSA-N
MW689.30 g/mol
LogP11.96
Rot. Bonds9

About N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine

N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine (PubChem CID 157093889) has the molecular formula C43H100N4O and a molecular weight of 689.30 g/mol. Its IUPAC name is N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound NameN,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine
PubChem CID157093889
Molecular FormulaC43H100N4O
Molecular Weight689.30 g/mol
Exact Mass688.79
IUPAC NameN,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine
SMILESC.C.CC(C)CC(=O)N(C)C1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C
InChIInChI=1S/C12H24N2O.C9H20N2.4C5H12.2CH4/c1-10(2)9-12(15)14(4)11-5-7-13(3)8-6-11;1-9(2)8-11-6-4-10(3)5-7-11;4*1-4-5(2)3;;/h10-11H,5-9H2,1-4H3;9H,4-8H2,1-3H3;4*5H,4H2,1-3H3;2*1H4
InChIKeyAEZCGQVQIHUXJZ-UHFFFAOYSA-N
XLogP11.96
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.30
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nipecotamide, N,N'-ethylenebis(N-butyl-1-methyl-
CID 218425
N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 97406503
N,N-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 97520890
Cambridge id 5465862
CID 2846715
1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-4-pyrrolidin-1-ylbutan-1-one
CID 125519875
N-[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164632263
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 164636914
N,N'-(Ethane-1,2-diyl)bis(1-hexyl-N-methylpiperidine-3-carboxamide)
CID 13300503
1-[4-[(1-Butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113225
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172114702
1-[4-Fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114728
1-[4-[3,3-Difluoro-1-(3-methylbutyl)piperidin-4-yl]piperazin-1-yl]propan-1-one;ethane
CID 176558284

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine?
The IUPAC name of N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine (CID 157093889) is N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine is C.C.CC(C)CC(=O)N(C)C1CCN(C)CC1.CC(C)CN1CCN(C)CC1.CCC(C)C.CCC(C)C.CCC(C)C.CCC(C)C.
What is the InChIKey of N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine?
The InChIKey is AEZCGQVQIHUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C9H20N2.4C5H12.2CH4/c1-10(2)9-12(15)14(4)11-5-7-13(3)8-6-11;1-9(2)8-11-6-4-10(3)5-7-11;4*1-4-5(2)3;;/h10-11H,5-9H2,1-4H3;9H,4-8H2,1-3H3;4*5H,4H2,1-3H3;2*1H4.
What are the key properties of N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine?
N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine has a molecular weight of 689.30 g/mol, XLogP of 11.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(1-methylpiperidin-4-yl)butanamide;methane;tetrakis(2-methylbutane);1-methyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 157093889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).