N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide

C15H31N3O — CID 112700338

IUPACN-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
SMILESCC(NC1CC(C)N(C)CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H31N3O/c1-10-9-18(7)11(2)8-13(10)16-12(3)14(19)17-15(4,5)6/h10-13,16H,8-9H2,1-7H3,(H,17,19)
InChIKeyXPCKSQPQGTXXHI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds3

About N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide

N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide (PubChem CID 112700338) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
PubChem CID112700338
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide
SMILESCC(NC1CC(C)N(C)CC1C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H31N3O/c1-10-9-18(7)11(2)8-13(10)16-12(3)14(19)17-15(4,5)6/h10-13,16H,8-9H2,1-7H3,(H,17,19)
InChIKeyXPCKSQPQGTXXHI-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
CID 63995714
(2R)-2-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-1-ol
CID 124526611
tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
CID 107254053
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
CID 79254544
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
1,2,5-trimethyl-N-(5-methylhexan-2-yl)piperidin-4-amine
CID 43665462
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 115649935
tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103901731
N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102733998

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide (CID 112700338) is N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide is CC(NC1CC(C)N(C)CC1C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide?
The InChIKey is XPCKSQPQGTXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-10-9-18(7)11(2)8-13(10)16-12(3)14(19)17-15(4,5)6/h10-13,16H,8-9H2,1-7H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide?
N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]propanamide is sourced from PubChem (CID 112700338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).