N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide

C17H35N3O — CID 106640908

IUPACN-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CCCNC1)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C17H35N3O/c1-5-11-20(13-16-7-6-9-18-12-16)15(4)17(21)19-10-8-14(2)3/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyBUTVVAUSDOWAHC-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.25
Rot. Bonds9

About N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide

N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide (PubChem CID 106640908) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
PubChem CID106640908
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
SMILESCCCN(CC1CCCNC1)C(C)C(=O)NCCC(C)C
InChIInChI=1S/C17H35N3O/c1-5-11-20(13-16-7-6-9-18-12-16)15(4)17(21)19-10-8-14(2)3/h14-16,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyBUTVVAUSDOWAHC-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
CID 106636555
2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 106640094
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106640729
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
N-butan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640806

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide (CID 106640908) is N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide is CCCN(CC1CCCNC1)C(C)C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
The InChIKey is BUTVVAUSDOWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-11-20(13-16-7-6-9-18-12-16)15(4)17(21)19-10-8-14(2)3/h14-16,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide?
N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide is sourced from PubChem (CID 106640908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).