2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide

C14H29N3O — CID 63849644

IUPAC2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-15-13(18)11-17-8-6-12(7-9-17)10-16-14(2,3)4/h12,16H,5-11H2,1-4H3,(H,15,18)
InChIKeyYYCWTMFLRLZQMV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide

2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide (PubChem CID 63849644) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
PubChem CID63849644
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-15-13(18)11-17-8-6-12(7-9-17)10-16-14(2,3)4/h12,16H,5-11H2,1-4H3,(H,15,18)
InChIKeyYYCWTMFLRLZQMV-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
tert-butyl N-[[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 51102081
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
CID 114496949
4-[4-[(tert-butylamino)methyl]piperidin-1-yl]butan-1-ol
CID 63848432

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide (CID 63849644) is 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide?
The InChIKey is YYCWTMFLRLZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-15-13(18)11-17-8-6-12(7-9-17)10-16-14(2,3)4/h12,16H,5-11H2,1-4H3,(H,15,18).
What are the key properties of 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide?
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 63849644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).