2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride

C14H30ClN3O — CID 119909909

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
SMILESCCC(C)(C)NC(=O)C(C)N1CCC(CN)CC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-5-14(3,4)16-13(18)11(2)17-8-6-12(10-15)7-9-17;/h11-12H,5-10,15H2,1-4H3,(H,16,18);1H
InChIKeyASQKITCZVWTSIQ-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.77
Rot. Bonds5

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride (PubChem CID 119909909) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
PubChem CID119909909
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
SMILESCCC(C)(C)NC(=O)C(C)N1CCC(CN)CC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-5-14(3,4)16-13(18)11(2)17-8-6-12(10-15)7-9-17;/h11-12H,5-10,15H2,1-4H3,(H,16,18);1H
InChIKeyASQKITCZVWTSIQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119922516
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 79993020
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide
CID 102938963
2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 63874811
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55201576
2,4-bis[4-(aminomethyl)piperidin-1-yl]pentan-3-one;2,2,2-trifluoroacetic acid
CID 174766751
N-[3-(aminomethyl)pentan-3-yl]-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119569404
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 74628799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride (CID 119909909) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride is CCC(C)(C)NC(=O)C(C)N1CCC(CN)CC1.Cl.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride?
The InChIKey is ASQKITCZVWTSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-5-14(3,4)16-13(18)11(2)17-8-6-12(10-15)7-9-17;/h11-12H,5-10,15H2,1-4H3,(H,16,18);1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119909909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).