3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide

C14H30N4O — CID 63236572

IUPAC3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(C)CC1CCN(C)CC1)C(N)=O
InChIInChI=1S/C14H30N4O/c1-4-7-16-13(14(15)19)11-18(3)10-12-5-8-17(2)9-6-12/h12-13,16H,4-11H2,1-3H3,(H2,15,19)
InChIKeyIVZCOZPFLKUREB-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.11
Rot. Bonds8

About 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide (PubChem CID 63236572) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide.

Molecular Properties

Compound Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
PubChem CID63236572
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
SMILESCCCNC(CN(C)CC1CCN(C)CC1)C(N)=O
InChIInChI=1S/C14H30N4O/c1-4-7-16-13(14(15)19)11-18(3)10-12-5-8-17(2)9-6-12/h12-13,16H,4-11H2,1-3H3,(H2,15,19)
InChIKeyIVZCOZPFLKUREB-UHFFFAOYSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-2-(propylamino)propanoic acid
CID 62861378
2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
CID 114515518
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 55174034
ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63274639
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64792457
2-(methylamino)-3-[methyl(oxan-4-ylmethyl)amino]propanamide
CID 63711617
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)butanamide
CID 64521638
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide?
The IUPAC name of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide (CID 63236572) is 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide.
What is the SMILES notation for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide?
The canonical SMILES for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide is CCCNC(CN(C)CC1CCN(C)CC1)C(N)=O.
What is the InChIKey of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide?
The InChIKey is IVZCOZPFLKUREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-7-16-13(14(15)19)11-18(3)10-12-5-8-17(2)9-6-12/h12-13,16H,4-11H2,1-3H3,(H2,15,19).
What are the key properties of 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide?
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide has a molecular weight of 270.42 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide is sourced from PubChem (CID 63236572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).