2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride

C17H30Cl2N4O — CID 119891442

IUPAC2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-4-20(16(22)17(2,3)18)13-14-8-11-21(12-9-14)15-7-5-6-10-19-15;;/h5-7,10,14H,4,8-9,11-13,18H2,1-3H3;2*1H
InChIKeyNHKSGJXNAOJEHS-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride

2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride (PubChem CID 119891442) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
PubChem CID119891442
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC Name2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)(C)N.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-4-20(16(22)17(2,3)18)13-14-8-11-21(12-9-14)15-7-5-6-10-19-15;;/h5-7,10,14H,4,8-9,11-13,18H2,1-3H3;2*1H
InChIKeyNHKSGJXNAOJEHS-UHFFFAOYSA-N
XLogP2.73
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 119891449
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-methylpropanamide
CID 107398375
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride (CID 119891442) is 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride is CCN(CC1CCN(c2ccccn2)CC1)C(=O)C(C)(C)N.Cl.Cl.
What is the InChIKey of 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride?
The InChIKey is NHKSGJXNAOJEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-4-20(16(22)17(2,3)18)13-14-8-11-21(12-9-14)15-7-5-6-10-19-15;;/h5-7,10,14H,4,8-9,11-13,18H2,1-3H3;2*1H.
What are the key properties of 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride?
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119891442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).