N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride

C14H30ClN3O — CID 119922516

IUPACN-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
SMILESCNCC1CCN(C(C)C(=O)NC(C)(C)C)CC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-11(13(18)16-14(2,3)4)17-8-6-12(7-9-17)10-15-5;/h11-12,15H,6-10H2,1-5H3,(H,16,18);1H
InChIKeyFGYAQMIUQSZPJT-UHFFFAOYSA-N
MW291.87 g/mol
LogP1.64
Rot. Bonds4

About N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride

N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride (PubChem CID 119922516) has the molecular formula C14H30ClN3O and a molecular weight of 291.87 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
PubChem CID119922516
Molecular FormulaC14H30ClN3O
Molecular Weight291.87 g/mol
Exact Mass291.21
IUPAC NameN-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
SMILESCNCC1CCN(C(C)C(=O)NC(C)(C)C)CC1.Cl
InChIInChI=1S/C14H29N3O.ClH/c1-11(13(18)16-14(2,3)4)17-8-6-12(7-9-17)10-15-5;/h11-12,15H,6-10H2,1-5H3,(H,16,18);1H
InChIKeyFGYAQMIUQSZPJT-UHFFFAOYSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
methyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60676690
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
CID 119909909
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095
2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119544266
N-tert-butyl-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63241398
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
N-tert-butyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507937
2,2,4-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119544267
N-tert-butyl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847259

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride (CID 119922516) is N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride is CNCC1CCN(C(C)C(=O)NC(C)(C)C)CC1.Cl.
What is the InChIKey of N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is FGYAQMIUQSZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.ClH/c1-11(13(18)16-14(2,3)4)17-8-6-12(7-9-17)10-15-5;/h11-12,15H,6-10H2,1-5H3,(H,16,18);1H.
What are the key properties of N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride?
N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 119922516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).