3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide

C13H27N3O2 — CID 119898215

IUPAC3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide
SMILESCC(C)OCCN1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)18-10-9-16-7-4-12(5-8-16)15-13(17)3-6-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyKTISYQAXJHDNQM-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds7

About 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide

3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide (PubChem CID 119898215) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide
PubChem CID119898215
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide
SMILESCC(C)OCCN1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)18-10-9-16-7-4-12(5-8-16)15-13(17)3-6-14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyKTISYQAXJHDNQM-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 119898185
N-(1-methylpiperidin-4-yl)-3-propan-2-yloxypropanamide
CID 142467334
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273
(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120801392
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119942509
3-amino-N-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119891190
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
4-(methoxymethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 120647651
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanesulfonamide
CID 47134700
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide (CID 119898215) is 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide is CC(C)OCCN1CCC(NC(=O)CCN)CC1.
What is the InChIKey of 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide?
The InChIKey is KTISYQAXJHDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)18-10-9-16-7-4-12(5-8-16)15-13(17)3-6-14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide?
3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 119898215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).