2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide

C14H29N3O — CID 55256655

IUPAC2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCCC1CNC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-5-12(13(15)18)17-9-7-6-8-11(17)10-16-14(2,3)4/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyKMFJWOKQKDAJSL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide

2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide (PubChem CID 55256655) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
PubChem CID55256655
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCCCC1CNC(C)(C)C
InChIInChI=1S/C14H29N3O/c1-5-12(13(15)18)17-9-7-6-8-11(17)10-16-14(2,3)4/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyKMFJWOKQKDAJSL-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660794
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N,N-diethylacetamide
CID 63849748
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660796
2-[2-[1-(propylamino)ethyl]piperidin-1-yl]butanamide
CID 63854877
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 55256274
2-methyl-N-[[1-(2-methylbutyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580952
ethyl 2-[2-(hydroxymethyl)piperidin-1-yl]butanoate
CID 64662609

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide (CID 55256655) is 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide is CCC(C(N)=O)N1CCCCC1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide?
The InChIKey is KMFJWOKQKDAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-12(13(15)18)17-9-7-6-8-11(17)10-16-14(2,3)4/h11-12,16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide?
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 55256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).