N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide

C13H26N2O — CID 109012920

IUPACN-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-4-12(3)14-13(16)7-10-15-8-5-11(2)6-9-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyHEXYOHCWJCGUGG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds5

About N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide

N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109012920) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109012920
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
SMILESCCC(C)NC(=O)CCN1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-4-12(3)14-13(16)7-10-15-8-5-11(2)6-9-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyHEXYOHCWJCGUGG-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
N-cyclopropyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109011725
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
1-butan-2-yl-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110943787
3-[3-(4-methylpiperazin-1-yl)propanoylamino]butanoic acid
CID 110834607
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94007632
N-butan-2-yl-2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]acetamide
CID 63852912

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide (CID 109012920) is N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide is CCC(C)NC(=O)CCN1CCC(C)CC1.
What is the InChIKey of N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is HEXYOHCWJCGUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-12(3)14-13(16)7-10-15-8-5-11(2)6-9-15/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide?
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109012920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).