2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride

C15H32ClN3O — CID 119928203

IUPAC2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)NC(C)(C)CC)CC1.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-5-15(3,4)17-14(19)12-18-9-7-13(8-10-18)11-16-6-2;/h13,16H,5-12H2,1-4H3,(H,17,19);1H
InChIKeyCBYFWKYGVANTEE-UHFFFAOYSA-N
MW305.89 g/mol
LogP2.03
Rot. Bonds7

About 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride (PubChem CID 119928203) has the molecular formula C15H32ClN3O and a molecular weight of 305.89 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
PubChem CID119928203
Molecular FormulaC15H32ClN3O
Molecular Weight305.89 g/mol
Exact Mass305.22
IUPAC Name2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
SMILESCCNCC1CCN(CC(=O)NC(C)(C)CC)CC1.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-5-15(3,4)17-14(19)12-18-9-7-13(8-10-18)11-16-6-2;/h13,16H,5-12H2,1-4H3,(H,17,19);1H
InChIKeyCBYFWKYGVANTEE-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60673370
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 170152750
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54955961
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride (CID 119928203) is 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride is CCNCC1CCN(CC(=O)NC(C)(C)CC)CC1.Cl.
What is the InChIKey of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
The InChIKey is CBYFWKYGVANTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.ClH/c1-5-15(3,4)17-14(19)12-18-9-7-13(8-10-18)11-16-6-2;/h13,16H,5-12H2,1-4H3,(H,17,19);1H.
What are the key properties of 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride?
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119928203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).