2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

C12H25ClN2O — CID 119462909

IUPAC2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCCC(CC)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-11(4-2)12(15)14-9-10-6-5-7-13-8-10;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyJQGDMPOJHLFOND-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.96
Rot. Bonds5

About 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride

2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (PubChem CID 119462909) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
PubChem CID119462909
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCCC(CC)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-11(4-2)12(15)14-9-10-6-5-7-13-8-10;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyJQGDMPOJHLFOND-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119460240
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
CID 119460747
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (CID 119462909) is 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is CCC(CC)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The InChIKey is JQGDMPOJHLFOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-11(4-2)12(15)14-9-10-6-5-7-13-8-10;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119462909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).