2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride

C16H31Cl2N5O — CID 154909830

IUPAC2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride
SMILESCC(C)Cn1cncc1CNC(=O)CN(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H29N5O.2ClH/c1-13(2)10-21-12-18-8-15(21)9-19-16(22)11-20(3)14-4-6-17-7-5-14;;/h8,12-14,17H,4-7,9-11H2,1-3H3,(H,19,22);2*1H
InChIKeyRJVPYMATDAFAGR-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.68
Rot. Bonds7

About 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride

2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride (PubChem CID 154909830) has the molecular formula C16H31Cl2N5O and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride
PubChem CID154909830
Molecular FormulaC16H31Cl2N5O
Molecular Weight380.36 g/mol
Exact Mass379.19
IUPAC Name2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride
SMILESCC(C)Cn1cncc1CNC(=O)CN(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C16H29N5O.2ClH/c1-13(2)10-21-12-18-8-15(21)9-19-16(22)11-20(3)14-4-6-17-7-5-14;;/h8,12-14,17H,4-7,9-11H2,1-3H3,(H,19,22);2*1H
InChIKeyRJVPYMATDAFAGR-UHFFFAOYSA-N
XLogP1.68
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
3-(azocan-1-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 131916605
2-[(2R,5S)-5-(methanesulfonamidomethyl)-1-methylpyrrolidin-2-yl]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide
CID 171388058
N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
6-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56702277
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
2-[azepan-4-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 104979446
(2R)-1-benzyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine-2-carboxamide
CID 124757765
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 118792786
2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 122558372
2-[methyl(piperidin-4-yl)amino]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125160379
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride (CID 154909830) is 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride is CC(C)Cn1cncc1CNC(=O)CN(C)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride?
The InChIKey is RJVPYMATDAFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O.2ClH/c1-13(2)10-21-12-18-8-15(21)9-19-16(22)11-20(3)14-4-6-17-7-5-14;;/h8,12-14,17H,4-7,9-11H2,1-3H3,(H,19,22);2*1H.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride?
2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 154909830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).