2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide

C13H27N3O — CID 63848440

IUPAC2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C)CNCC1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)8-15-9-12-4-6-16(7-5-12)11(3)13(14)17/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyGUFUOMNPFYCULT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds6

About 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide

2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 63848440) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
PubChem CID63848440
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
SMILESCC(C)CNCC1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)8-15-9-12-4-6-16(7-5-12)11(3)13(14)17/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyGUFUOMNPFYCULT-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 55257019
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477
2-(4-formylpiperidin-1-yl)propanamide
CID 62656288
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091693
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide (CID 63848440) is 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide is CC(C)CNCC1CCN(C(C)C(N)=O)CC1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is GUFUOMNPFYCULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)8-15-9-12-4-6-16(7-5-12)11(3)13(14)17/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide?
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63848440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).