2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide

C14H29N3O — CID 55258736

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
SMILESCC(N)C1CCCN(C(C)C(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H29N3O/c1-10(15)12-7-6-8-17(9-12)11(2)13(18)16-14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyRLDVDBDOUSEFGE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds3

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide

2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide (PubChem CID 55258736) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
PubChem CID55258736
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
SMILESCC(N)C1CCCN(C(C)C(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H29N3O/c1-10(15)12-7-6-8-17(9-12)11(2)13(18)16-14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyRLDVDBDOUSEFGE-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259
ethyl N-[(3S)-1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 94154347
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-carbamoylpropanamide
CID 112630191
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
N-tert-butyl-2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976887
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide (CID 55258736) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide is CC(N)C1CCCN(C(C)C(=O)NC(C)(C)C)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide?
The InChIKey is RLDVDBDOUSEFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-10(15)12-7-6-8-17(9-12)11(2)13(18)16-14(3,4)5/h10-12H,6-9,15H2,1-5H3,(H,16,18).
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide is sourced from PubChem (CID 55258736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).