2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride

C15H24Cl2N4O — CID 120775078

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(Cl)cn1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C15H23ClN4O.ClH/c1-10(20-7-6-12(17)15(2,3)9-20)14(21)19-13-5-4-11(16)8-18-13;/h4-5,8,10,12H,6-7,9,17H2,1-3H3,(H,18,19,21);1H
InChIKeyVBMJURVCRNFZDP-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride (PubChem CID 120775078) has the molecular formula C15H24Cl2N4O and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
PubChem CID120775078
Molecular FormulaC15H24Cl2N4O
Molecular Weight347.29 g/mol
Exact Mass346.13
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(Cl)cn1)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C15H23ClN4O.ClH/c1-10(20-7-6-12(17)15(2,3)9-20)14(21)19-13-5-4-11(16)8-18-13;/h4-5,8,10,12H,6-7,9,17H2,1-3H3,(H,18,19,21);1H
InChIKeyVBMJURVCRNFZDP-UHFFFAOYSA-N
XLogP2.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-fluoropiperidin-1-yl)propanamide
CID 164584586
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CID 110019983
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 94799522
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride (CID 120775078) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride is CC(C(=O)Nc1ccc(Cl)cn1)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride?
The InChIKey is VBMJURVCRNFZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O.ClH/c1-10(20-7-6-12(17)15(2,3)9-20)14(21)19-13-5-4-11(16)8-18-13;/h4-5,8,10,12H,6-7,9,17H2,1-3H3,(H,18,19,21);1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride is sourced from PubChem (CID 120775078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).