4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide

C12H26N4O — CID 63028069

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
SMILESCNC(CCN1CCC(N(C)C)CC1)C(N)=O
InChIInChI=1S/C12H26N4O/c1-14-11(12(13)17)6-9-16-7-4-10(5-8-16)15(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,17)
InChIKeyLAUJNOHXECPSII-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.52
Rot. Bonds6

About 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide

4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide (PubChem CID 63028069) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
PubChem CID63028069
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide
SMILESCNC(CCN1CCC(N(C)C)CC1)C(N)=O
InChIInChI=1S/C12H26N4O/c1-14-11(12(13)17)6-9-16-7-4-10(5-8-16)15(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,17)
InChIKeyLAUJNOHXECPSII-UHFFFAOYSA-N
XLogP-0.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide
CID 63054591
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267
2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 55159335
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(methylamino)butanamide
CID 115561507
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanamide
CID 63028456
2,5-bis(methylamino)hexanediamide
CID 66221520
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(methylamino)butanamide
CID 63053002

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide (CID 63028069) is 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide is CNC(CCN1CCC(N(C)C)CC1)C(N)=O.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide?
The InChIKey is LAUJNOHXECPSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-14-11(12(13)17)6-9-16-7-4-10(5-8-16)15(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,17).
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide?
4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide has a molecular weight of 242.37 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-2-(methylamino)butanamide is sourced from PubChem (CID 63028069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).